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Analogs

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Popular Name: N-(1H-benzimidazol-2-ylmethyl)-1-(2-chlorophenyl)methanamine N-(1H-benzimidazol-2-ylmethyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.08 -9.03 2 3 0 41 271.751 4 ↓
Lo Low (pH 4.5-6) 3.12 8.25 -112.3 4 3 2 47 273.767 4 ↓

Analogs

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Popular Name: N-(1H-benzimidazol-2-ylmethyl)-1-(3-fluorophenyl)-N-methyl-methanamine N-(1H-benzimidazol-2-ylmethyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 6.45 -11.12 1 3 0 32 269.323 4 ↓
Mid Mid (pH 6-8) 2.88 7.5 -30.71 2 3 1 33 270.331 4 ↓
Lo Low (pH 4.5-6) 2.88 9.71 -117.92 3 3 2 34 271.339 4 ↓

Analogs

12434403
12434403
12434404
12434404

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Popular Name: (2S)-1-[4-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-2-methoxy-phenoxy]-3-[isopropyl(methyl)a (2S)-1-[4-[[1H-benzimidazol-2-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 6.86 -44.11 3 7 1 75 427.569 11 ↓
Mid Mid (pH 6-8) 2.44 7.9 -75.92 4 7 2 76 428.577 11 ↓
Lo Low (pH 4.5-6) 2.44 10.11 -174.73 5 7 3 77 429.585 11 ↓

Analogs

12434403
12434403
12434404
12434404

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Popular Name: (2R)-1-[4-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-2-methoxy-phenoxy]-3-[isopropyl(methyl)a (2R)-1-[4-[[1H-benzimidazol-2-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 6.84 -44.02 3 7 1 75 427.569 11 ↓
Mid Mid (pH 6-8) 2.44 7.89 -76.26 4 7 2 76 428.577 11 ↓
Lo Low (pH 4.5-6) 2.44 10.09 -175.2 5 7 3 77 429.585 11 ↓

Analogs

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Popular Name: 2-[[(2,3-dimethoxyphenyl)methyl-methyl-amino]methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamid 2-[[(2,3-dimethoxyphenyl)methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 6.01 -20.5 0 8 0 77 446.573 9 ↓

Analogs

43258191
43258191

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Popular Name: (1H-benzimidazol-2-ylmethyl)benzylamine dihydrochloride (1H-benzimidazol-2-ylmethyl)benz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 5.65 -8.13 2 3 0 41 237.306 4 ↓

Analogs

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Popular Name: 2-[benzyl-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]amino]ethanol 2-[benzyl-[[1-(difluoromethyl)be…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 5.75 -11.5 1 4 0 41 331.366 7 ↓
Mid Mid (pH 6-8) 2.73 7.96 -38.12 2 4 1 42 332.374 7 ↓

Analogs

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Popular Name: 2-[1H-benzimidazol-2-ylmethyl-[(4-methylsulfanylphenyl)methyl]amino]ethanol 2-[1H-benzimidazol-2-ylmethyl-[(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.21 -11.23 2 4 0 52 327.453 7 ↓
Mid Mid (pH 6-8) 2.54 7.35 -42.39 3 4 1 53 328.461 7 ↓
Lo Low (pH 4.5-6) 2.54 8.19 -113.54 4 4 2 55 329.469 7 ↓

Analogs

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Popular Name: (2S)-3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methyl-propan-1-ol (2S)-3-[1H-benzimidazol-2-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 5.63 -9.88 2 4 0 52 309.413 7 ↓
Mid Mid (pH 6-8) 2.85 7.84 -47.07 3 4 1 53 310.421 7 ↓

Analogs

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Popular Name: (2R)-3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methyl-propan-1-ol (2R)-3-[1H-benzimidazol-2-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 5.82 -10.16 2 4 0 52 309.413 7 ↓
Mid Mid (pH 6-8) 2.85 7.74 -40.52 3 4 1 53 310.421 7 ↓

Analogs

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Popular Name: N-(1H-benzimidazol-2-ylmethyl)-N-[(2-fluorophenyl)methyl]-2-methoxy-ethanamine N-(1H-benzimidazol-2-ylmethyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 6.64 -12.47 1 4 0 41 313.376 7 ↓
Mid Mid (pH 6-8) 2.84 7.13 -24.69 2 4 1 42 314.384 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 9.35 -15.68 1 5 0 56 341.386 7 ↓
Mid Mid (pH 6-8) 3.12 9.83 -30.77 2 5 1 57 342.394 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 9.24 -9.75 1 5 0 56 341.386 7 ↓
Mid Mid (pH 6-8) 3.12 9.75 -30.91 2 5 1 57 342.394 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 9.48 -9.45 1 5 0 56 337.423 7 ↓
Mid Mid (pH 6-8) 3.55 9.84 -30.87 2 5 1 57 338.431 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 9.24 -10.51 1 5 0 56 337.423 7 ↓
Mid Mid (pH 6-8) 3.55 9.78 -30.79 2 5 1 57 338.431 7 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]prop-2-en-1-amine N-[(3-methoxyphenyl)methyl]-N-[(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 8.56 -11.62 0 4 0 30 321.424 7 ↓
Mid Mid (pH 6-8) 3.48 9.35 -26.15 1 4 1 32 322.432 7 ↓
Mid Mid (pH 6-8) 3.48 10.88 -40.95 1 4 1 31 322.432 7 ↓

Analogs

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Popular Name: N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-[3-methoxy-4-[(1R)-1-methylpropoxy]phenyl]methanamine N-[(6-methoxy-1H-benzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 7.81 -56.26 3 6 1 73 370.473 9 ↓
Mid Mid (pH 6-8) 3.41 6.46 -12.19 2 6 0 68 369.465 9 ↓

Analogs

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Popular Name: N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-[3-methoxy-4-[(1S)-1-methylpropoxy]phenyl]methanamine N-[(6-methoxy-1H-benzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 7.8 -56.27 3 6 1 73 370.473 9 ↓
Mid Mid (pH 6-8) 3.41 6.46 -12.17 2 6 0 68 369.465 9 ↓

Analogs

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Popular Name: [3-[[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]methyl]-2,4,6-trimethyl-phenyl]methyl [3-[[[(1S)-1-(1H-benzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 10.68 -48.22 3 5 1 72 366.485 7 ↓
Mid Mid (pH 6-8) 4.22 9.48 -13.76 2 5 0 67 365.477 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]methyl]-2,4,6-trimethyl-phenyl]methyl [3-[[[(1R)-1-(1H-benzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 10.67 -48.4 3 5 1 72 366.485 7 ↓
Mid Mid (pH 6-8) 4.22 9.45 -12.81 2 5 0 67 365.477 7 ↓

Analogs

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Popular Name: (1S)-1-(3-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1S)-1-(3-chlorophenyl)-N-[(1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.63 -8.44 1 3 0 30 299.805 4 ↓
Mid Mid (pH 6-8) 3.77 9.07 -29.21 2 3 1 31 300.813 4 ↓
Mid Mid (pH 6-8) 3.77 9.76 -49.46 2 3 1 34 300.813 4 ↓

Analogs

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Popular Name: (1R)-1-(3-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1R)-1-(3-chlorophenyl)-N-[(1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.65 -8.14 1 3 0 30 299.805 4 ↓
Mid Mid (pH 6-8) 3.77 9.08 -30.72 2 3 1 31 300.813 4 ↓
Mid Mid (pH 6-8) 3.77 9.74 -48.58 2 3 1 34 300.813 4 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1S)-1-(4-bromophenyl)-N-[(1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.93 8.75 -8.61 1 3 0 30 344.256 4 ↓
Mid Mid (pH 6-8) 3.93 9.18 -29.91 2 3 1 31 345.264 4 ↓
Mid Mid (pH 6-8) 3.93 9.87 -50.49 2 3 1 34 345.264 4 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1R)-1-(4-bromophenyl)-N-[(1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.93 8.76 -8.73 1 3 0 30 344.256 4 ↓
Mid Mid (pH 6-8) 3.93 9.2 -31.27 2 3 1 31 345.264 4 ↓
Mid Mid (pH 6-8) 3.93 9.84 -50.39 2 3 1 34 345.264 4 ↓

Analogs

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Popular Name: (1R)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(o-tolyl)ethanamine (1R)-N-[(1-methylbenzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 8.75 -8.42 1 3 0 30 279.387 4 ↓
Mid Mid (pH 6-8) 3.52 9.18 -29.29 2 3 1 31 280.395 4 ↓
Mid Mid (pH 6-8) 3.52 9.77 -45.37 2 3 1 34 280.395 4 ↓

Analogs

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Popular Name: (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(o-tolyl)ethanamine (1S)-N-[(1-methylbenzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 8.67 -8.66 1 3 0 30 279.387 4 ↓
Mid Mid (pH 6-8) 3.52 9.1 -28.16 2 3 1 31 280.395 4 ↓
Mid Mid (pH 6-8) 3.52 9.8 -45.7 2 3 1 34 280.395 4 ↓

Analogs

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Popular Name: (1S)-1-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1S)-1-(2-bromophenyl)-N-[(1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 8.62 -8.15 1 3 0 30 344.256 4 ↓
Mid Mid (pH 6-8) 3.88 9.78 -44.57 2 3 1 34 345.264 4 ↓
Mid Mid (pH 6-8) 3.88 9.06 -27.85 2 3 1 31 345.264 4 ↓

Analogs

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Popular Name: (1R)-1-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1R)-1-(2-bromophenyl)-N-[(1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 8.77 -7.58 1 3 0 30 344.256 4 ↓
Mid Mid (pH 6-8) 3.88 9.77 -43.15 2 3 1 34 345.264 4 ↓
Mid Mid (pH 6-8) 3.88 9.2 -28.76 2 3 1 31 345.264 4 ↓

Analogs

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Popular Name: N-[3-[(1S)-1-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]phenyl]acetamide N-[3-[(1S)-1-[(1-methylbenzimida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 7 -15.65 2 5 0 59 322.412 5 ↓
Mid Mid (pH 6-8) 2.31 7.44 -35.26 3 5 1 60 323.42 5 ↓
Mid Mid (pH 6-8) 2.31 8.12 -55.59 3 5 1 64 323.42 5 ↓

Analogs

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Popular Name: N-[3-[(1R)-1-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]phenyl]acetamide N-[3-[(1R)-1-[(1-methylbenzimida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 7 -15.7 2 5 0 59 322.412 5 ↓
Mid Mid (pH 6-8) 2.31 7.45 -37.81 3 5 1 60 323.42 5 ↓
Mid Mid (pH 6-8) 2.31 8.1 -56.55 3 5 1 64 323.42 5 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1S)-1-(3-bromophenyl)-N-[(1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 8.74 -8.36 1 3 0 30 344.256 4 ↓
Mid Mid (pH 6-8) 3.90 9.17 -29.2 2 3 1 31 345.264 4 ↓
Mid Mid (pH 6-8) 3.90 9.86 -49.56 2 3 1 34 345.264 4 ↓

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1R)-1-(3-bromophenyl)-N-[(1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 8.75 -8.06 1 3 0 30 344.256 4 ↓
Mid Mid (pH 6-8) 3.90 9.19 -30.72 2 3 1 31 345.264 4 ↓
Mid Mid (pH 6-8) 3.90 9.84 -48.64 2 3 1 34 345.264 4 ↓

Analogs

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Popular Name: (1R)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(p-tolyl)ethanamine (1R)-N-[(1-methylbenzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 9.91 -45.49 2 3 1 34 280.395 4 ↓
Mid Mid (pH 6-8) 3.57 9.26 -28.84 2 3 1 31 280.395 4 ↓
Mid Mid (pH 6-8) 3.57 8.82 -8.44 1 3 0 30 279.387 4 ↓

Analogs

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Popular Name: (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(p-tolyl)ethanamine (1S)-N-[(1-methylbenzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 9.92 -45.65 2 3 1 34 280.395 4 ↓
Mid Mid (pH 6-8) 3.57 9.24 -27.53 2 3 1 31 280.395 4 ↓
Mid Mid (pH 6-8) 3.57 8.8 -8.44 1 3 0 30 279.387 4 ↓

Analogs

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Popular Name: N-[(2-bromo-5-fluoro-phenyl)methyl]-1-(1-methylbenzimidazol-2-yl)methanamine N-[(2-bromo-5-fluoro-phenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.83 -10.66 1 3 0 30 348.219 4 ↓
Mid Mid (pH 6-8) 3.46 8.26 -28.95 2 3 1 31 349.227 4 ↓
Lo Low (pH 4.5-6) 3.46 9.24 -48.35 2 3 1 34 349.227 4 ↓

Analogs

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Popular Name: (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-phenyl-propan-1-amine (1S)-N-[(1-methylbenzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 9.98 -43.66 2 3 1 34 280.395 5 ↓
Mid Mid (pH 6-8) 2.72 9.17 -27.8 2 3 1 31 280.395 5 ↓
Mid Mid (pH 6-8) 2.72 8.73 -8.15 1 3 0 30 279.387 5 ↓

Analogs

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Popular Name: (1R)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-phenyl-propan-1-amine (1R)-N-[(1-methylbenzimidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 9.97 -40.96 2 3 1 34 280.395 5 ↓
Mid Mid (pH 6-8) 2.72 9.2 -29.28 2 3 1 31 280.395 5 ↓
Mid Mid (pH 6-8) 2.72 8.77 -8.22 1 3 0 30 279.387 5 ↓

Analogs

53149664
53149664

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-1-(1-methylbenzimidazol-2-yl)methanamine N-[(3-chloro-4-fluoro-phenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.82 -13.27 1 3 0 30 303.768 4 ↓
Mid Mid (pH 6-8) 3.33 8.26 -34.01 2 3 1 31 304.776 4 ↓
Mid Mid (pH 6-8) 3.33 9.18 -59.77 2 3 1 34 304.776 4 ↓

Analogs

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(1-isopropylbenzimidazol-2-yl)methanamine N-[(2,5-dimethoxyphenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 7.09 -11.81 1 5 0 48 339.439 7 ↓
Mid Mid (pH 6-8) 3.34 7.53 -27.42 2 5 1 50 340.447 7 ↓
Mid Mid (pH 6-8) 3.34 8.47 -45.34 2 5 1 53 340.447 7 ↓

Analogs

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Popular Name: 4-[[[(1S)-1-(5-chloro-1H-benzimidazol-2-yl)ethyl]amino]methyl]benzonitrile 4-[[[(1S)-1-(5-chloro-1H-benzimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.23 -11.45 2 4 0 65 310.788 4 ↓
Mid Mid (pH 6-8) 3.46 8.44 -57.92 3 4 1 69 311.796 4 ↓
Lo Low (pH 4.5-6) 3.46 7.64 -38.15 3 4 1 66 311.796 4 ↓

Analogs

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Popular Name: 4-[[[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)ethyl]amino]methyl]benzonitrile 4-[[[(1R)-1-(5-chloro-1H-benzimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.25 -12.27 2 4 0 65 310.788 4 ↓
Mid Mid (pH 6-8) 3.46 8.44 -57.95 3 4 1 69 311.796 4 ↓
Lo Low (pH 4.5-6) 3.46 7.66 -38.38 3 4 1 66 311.796 4 ↓

Analogs

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Popular Name: 2-[[[(1S)-1-(5-chloro-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenol 2-[[[(1S)-1-(5-chloro-1H-benzimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 5.26 -44.71 4 4 1 66 302.785 4 ↓
Mid Mid (pH 6-8) 3.64 4.02 -10.47 3 4 0 61 301.777 4 ↓

Analogs

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Popular Name: 2-[[[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenol 2-[[[(1R)-1-(5-chloro-1H-benzimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 5.26 -43.98 4 4 1 66 302.785 4 ↓
Mid Mid (pH 6-8) 3.64 4.04 -11.31 3 4 0 61 301.777 4 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(1-isopropylbenzimidazol-2-yl)methanamine N-[(3,4-dimethoxyphenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 9.02 -56.62 2 5 1 53 340.447 7 ↓
Mid Mid (pH 6-8) 2.94 8.12 -33.27 2 5 1 50 340.447 7 ↓
Mid Mid (pH 6-8) 2.94 7.67 -14.15 1 5 0 48 339.439 7 ↓

Analogs

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Popular Name: N-benzyl-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-4-methoxy-butan-1-amine N-benzyl-N-[[1-(difluoromethyl)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 9.56 -8.56 0 4 0 30 373.447 10 ↓
Mid Mid (pH 6-8) 3.89 11.48 -37.2 1 4 1 31 374.455 10 ↓

Analogs

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Popular Name: 2-[[methyl-[(5-methyl-1H-benzimidazol-2-yl)methyl]amino]methyl]benzoic 2-[[methyl-[(5-methyl-1H-benzimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 7.95 -62.35 1 5 -1 72 308.361 5 ↓
Mid Mid (pH 6-8) 2.68 8.99 -41.95 2 5 0 73 309.369 5 ↓
Mid Mid (pH 6-8) 2.68 9.96 -52.43 2 5 0 73 309.369 5 ↓

Analogs

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Popular Name: (1S)-1-(1-methylbenzimidazol-2-yl)-N-(o-tolylmethyl)ethanamine (1S)-1-(1-methylbenzimidazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 9.58 -42.92 2 3 1 34 280.395 4 ↓
Hi High (pH 8-9.5) 3.52 8.4 -10.18 1 3 0 30 279.387 4 ↓

Analogs

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Popular Name: (1R)-1-(1-methylbenzimidazol-2-yl)-N-(o-tolylmethyl)ethanamine (1R)-1-(1-methylbenzimidazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 9.6 -42.66 2 3 1 34 280.395 4 ↓
Hi High (pH 8-9.5) 3.52 8.3 -9.77 1 3 0 30 279.387 4 ↓

Analogs

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Popular Name: N-methyl-1-(5-methyl-1H-benzimidazol-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine N-methyl-1-(5-methyl-1H-benzimid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 4.59 -17.16 1 5 0 66 343.452 5 ↓
Mid Mid (pH 6-8) 2.03 5.65 -39.71 2 5 1 67 344.46 5 ↓

Analogs

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Popular Name: 1-(6,7-dimethyl-1H-benzimidazol-2-yl)-N-[(5-fluoro-2-methyl-phenyl)methyl]methanamine 1-(6,7-dimethyl-1H-benzimidazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.83 7.7 -9.39 2 3 0 41 297.377 4 ↓
Mid Mid (pH 6-8) 3.83 8.88 -51.01 3 3 1 45 298.385 4 ↓
Mid Mid (pH 6-8) 3.83 8.49 -31.7 3 3 1 42 298.385 4 ↓

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