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Analogs

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Popular Name: 1-[2-(1-piperidyl)ethyl]benzimidazol-5-amine 1-[2-(1-piperidyl)ethyl]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) 1.49 7.76 -47.17 3 4 1 48 245.35 3 ↓
Hi High (pH 8-9.5) 1.49 5.56 -8.36 2 4 0 47 244.342 3 ↓
Lo Low (pH 4.5-6) 1.49 8.25 -98.79 4 4 2 50 246.358 3 ↓

Analogs

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Popular Name: 2-methyl-1-[2-(1-piperidyl)ethyl]benzimidazol-5-amine 2-methyl-1-[2-(1-piperidyl)ethyl…

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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) 1.57 7.58 -47.96 3 4 1 48 259.377 3 ↓
Hi High (pH 8-9.5) 1.57 5.36 -8.62 2 4 0 47 258.369 3 ↓
Mid Mid (pH 6-8) 1.57 8.02 -93.46 4 4 2 50 260.385 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[2-(1-piperidyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[2-(1-piperidyl)ethyl]…

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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) 2.15 8.18 -48.04 3 4 1 48 273.404 4 ↓
Hi High (pH 8-9.5) 2.15 5.97 -8.28 2 4 0 47 272.396 4 ↓
Mid Mid (pH 6-8) 2.15 8.47 -91.99 4 4 2 50 274.412 4 ↓

Analogs

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Popular Name: 1-[2-(1-piperidyl)ethyl]-2-propyl-benzimidazol-5-amine 1-[2-(1-piperidyl)ethyl]-2-propy…

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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) 2.65 8.96 -48.17 3 4 1 48 287.431 5 ↓
Hi High (pH 8-9.5) 2.65 6.74 -7.99 2 4 0 47 286.423 5 ↓
Mid Mid (pH 6-8) 2.65 9.25 -92.91 4 4 2 50 288.439 5 ↓

Analogs

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Popular Name: 2-isopropyl-1-[2-(1-piperidyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[2-(1-piperidyl)et…

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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) 2.63 8.6 -47.67 3 4 1 48 287.431 4 ↓
Hi High (pH 8-9.5) 2.63 6.38 -7.96 2 4 0 47 286.423 4 ↓
Mid Mid (pH 6-8) 2.63 9.06 -91.42 4 4 2 50 288.439 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-(1-piperidyl)propyl]benzimidazol-5-amine 1-[(2S)-2-(1-piperidyl)propyl]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) 1.82 7.94 -45.68 3 4 1 48 259.377 3 ↓
Hi High (pH 8-9.5) 1.82 5.76 -7.93 2 4 0 47 258.369 3 ↓
Lo Low (pH 4.5-6) 1.82 8.43 -96.98 4 4 2 50 260.385 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-(1-piperidyl)propyl]benzimidazol-5-amine 1-[(2R)-2-(1-piperidyl)propyl]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) 1.82 8.1 -45.5 3 4 1 48 259.377 3 ↓
Hi High (pH 8-9.5) 1.82 6.01 -8.9 2 4 0 47 258.369 3 ↓
Lo Low (pH 4.5-6) 1.82 8.58 -95.32 4 4 2 50 260.385 3 ↓

Analogs

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Popular Name: 2-methyl-1-[(2R)-2-(1-piperidyl)propyl]benzimidazol-5-amine 2-methyl-1-[(2R)-2-(1-piperidyl)…

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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) 1.90 7.96 -46.39 3 4 1 48 273.404 3 ↓
Hi High (pH 8-9.5) 1.90 5.53 -9.71 2 4 0 47 272.396 3 ↓
Mid Mid (pH 6-8) 1.90 8.4 -91.65 4 4 2 50 274.412 3 ↓

Analogs

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Popular Name: 2-methyl-1-[(2S)-2-(1-piperidyl)propyl]benzimidazol-5-amine 2-methyl-1-[(2S)-2-(1-piperidyl)…

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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) 1.90 7.63 -46.09 3 4 1 48 273.404 3 ↓
Hi High (pH 8-9.5) 1.90 5.46 -8.31 2 4 0 47 272.396 3 ↓
Mid Mid (pH 6-8) 1.90 8.07 -90.1 4 4 2 50 274.412 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[(2R)-2-(1-piperidyl)propyl]benzimidazol-5-amine 2-ethyl-1-[(2R)-2-(1-piperidyl)p…

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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) 2.48 8.52 -46.36 3 4 1 48 287.431 4 ↓
Hi High (pH 8-9.5) 2.48 5.96 -9.42 2 4 0 47 286.423 4 ↓
Mid Mid (pH 6-8) 2.48 8.87 -89.85 4 4 2 50 288.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[(2S)-2-(1-piperidyl)propyl]benzimidazol-5-amine 2-ethyl-1-[(2S)-2-(1-piperidyl)p…

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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) 2.48 8.23 -46.17 3 4 1 48 287.431 4 ↓
Hi High (pH 8-9.5) 2.48 6.05 -8.02 2 4 0 47 286.423 4 ↓
Mid Mid (pH 6-8) 2.48 8.57 -89.37 4 4 2 50 288.439 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methyl-2-(1-piperidyl)ethyl]benzimidazol-5-amine 1-[(1S)-1-methyl-2-(1-piperidyl)…

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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) 1.85 8.17 -45.95 3 4 1 48 259.377 3 ↓
Hi High (pH 8-9.5) 1.85 6.23 -7.77 2 4 0 47 258.369 3 ↓
Lo Low (pH 4.5-6) 1.85 8.65 -96.49 4 4 2 50 260.385 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-methyl-2-(1-piperidyl)ethyl]benzimidazol-5-amine 1-[(1R)-1-methyl-2-(1-piperidyl)…

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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) 1.85 8.16 -45.95 3 4 1 48 259.377 3 ↓
Hi High (pH 8-9.5) 1.85 6.23 -7.77 2 4 0 47 258.369 3 ↓
Lo Low (pH 4.5-6) 1.85 8.64 -96.58 4 4 2 50 260.385 3 ↓

Analogs

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Popular Name: 2-methyl-1-[(1S)-1-methyl-2-(1-piperidyl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1S)-1-methyl-2-(1-p…

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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) 1.94 7.89 -46.51 3 4 1 48 273.404 3 ↓
Hi High (pH 8-9.5) 1.94 5.98 -8.49 2 4 0 47 272.396 3 ↓
Mid Mid (pH 6-8) 1.94 8.33 -89.91 4 4 2 50 274.412 3 ↓

Analogs

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Popular Name: 2-methyl-1-[(1R)-1-methyl-2-(1-piperidyl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1R)-1-methyl-2-(1-p…

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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) 1.94 7.92 -46.73 3 4 1 48 273.404 3 ↓
Hi High (pH 8-9.5) 1.94 6.03 -8.43 2 4 0 47 272.396 3 ↓
Mid Mid (pH 6-8) 1.94 8.35 -90.18 4 4 2 50 274.412 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1S)-1-methyl-2-(1-piperidyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1S)-1-methyl-2-(1-pi…

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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) 2.51 8.5 -46.78 3 4 1 48 287.431 4 ↓
Hi High (pH 8-9.5) 2.51 6.54 -8.12 2 4 0 47 286.423 4 ↓
Mid Mid (pH 6-8) 2.51 8.93 -89.1 4 4 2 50 288.439 4 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1R)-1-methyl-2-(1-piperidyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1R)-1-methyl-2-(1-pi…

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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) 2.51 8.64 -42.65 3 4 1 48 287.431 4 ↓
Hi High (pH 8-9.5) 2.51 6.28 -9.51 2 4 0 47 286.423 4 ↓
Mid Mid (pH 6-8) 2.51 8.95 -88.73 4 4 2 50 288.439 4 ↓

Analogs

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Popular Name: butyl butyl

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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) -0.13 15.09 -95.42 3 6 2 66 360.502 9 ↓
Hi High (pH 8-9.5) -0.13 12.89 -30.09 2 6 1 64 359.494 9 ↓

Analogs

40150973
40150973

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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) -1.57 12.58 -95.44 3 6 2 66 318.421 6 ↓
Hi High (pH 8-9.5) -1.57 10.38 -30.46 2 6 1 64 317.413 6 ↓

Analogs

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Popular Name: N-[1-[2-(1-piperidyl)ethyl]benzimidazol-2-yl]acetamide N-[1-[2-(1-piperidyl)ethyl]benzi…

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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) 1.97 8.57 -52.23 2 5 0 57 287.387 4 ↓
Hi High (pH 8-9.5) 2.15 7.68 -9.07 1 5 0 53 286.379 3 ↓
Mid Mid (pH 6-8) 2.15 9.9 -44.66 2 5 1 55 287.387 3 ↓

Analogs

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Popular Name: 7-chloro-1-[2-(1-piperidyl)ethyl]benzimidazol-2-amine 7-chloro-1-[2-(1-piperidyl)ethyl…

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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) 2.87 9.71 -40.56 3 4 1 48 279.795 3 ↓
Hi High (pH 8-9.5) 2.87 7.49 -6.89 2 4 0 47 278.787 3 ↓
Lo Low (pH 4.5-6) 2.87 10.18 -90.34 4 4 2 50 280.803 3 ↓

Analogs

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Popular Name: 5-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazol-2-amine 5-fluoro-1-[2-(1-piperidyl)ethyl…

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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) 2.38 9.46 -50.33 3 4 1 48 263.34 3 ↓
Hi High (pH 8-9.5) 2.38 7.25 -7.9 2 4 0 47 262.332 3 ↓
Mid Mid (pH 6-8) 2.38 9.93 -100.52 4 4 2 50 264.348 3 ↓

Analogs

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Popular Name: 5-methyl-1-[2-(1-piperidyl)ethyl]benzimidazol-2-amine 5-methyl-1-[2-(1-piperidyl)ethyl…

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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) 2.66 10.05 -46.55 3 4 1 48 259.377 3 ↓
Hi High (pH 8-9.5) 2.66 7.85 -7.97 2 4 0 47 258.369 3 ↓
Mid Mid (pH 6-8) 2.66 10.52 -94.21 4 4 2 50 260.385 3 ↓

Analogs

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Popular Name: 5-chloro-1-[2-(1-piperidyl)ethyl]benzimidazol-2-amine 5-chloro-1-[2-(1-piperidyl)ethyl…

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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) 2.89 9.9 -48.98 3 4 1 48 279.795 3 ↓
Hi High (pH 8-9.5) 2.89 7.69 -7.27 2 4 0 47 278.787 3 ↓
Lo Low (pH 4.5-6) 2.89 10.37 -99.89 4 4 2 50 280.803 3 ↓

Analogs

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Popular Name: 4-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazol-2-amine 4-fluoro-1-[2-(1-piperidyl)ethyl…

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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) 2.35 9.45 -52.03 3 4 1 48 263.34 3 ↓
Hi High (pH 8-9.5) 2.35 7.25 -10.39 2 4 0 47 262.332 3 ↓
Lo Low (pH 4.5-6) 2.35 9.93 -98.8 4 4 2 50 264.348 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[2-(1-piperidyl)ethyl]benzimidazole 2-(chloromethyl)-1-[2-(1-piperid…

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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 10.21 -47.21 1 3 1 22 278.807 4 ↓
Hi High (pH 8-9.5) 3.12 7.99 -7.01 0 3 0 21 277.799 4 ↓
Lo Low (pH 4.5-6) 3.12 10.64 -95.5 2 3 2 24 279.815 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[2-(1-piperidyl)ethyl]benzimidazole 5-chloro-2-[(1S)-1-chloroethyl]-…

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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) 4.13 11.21 -53.15 1 3 1 22 327.279 4 ↓
Hi High (pH 8-9.5) 4.13 9 -7.12 0 3 0 21 326.271 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[2-(1-piperidyl)ethyl]benzimidazole 5-chloro-2-[(1R)-1-chloroethyl]-…

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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) 4.13 11.25 -51.68 1 3 1 22 327.279 4 ↓
Hi High (pH 8-9.5) 4.13 9.05 -7.18 0 3 0 21 326.271 4 ↓

Analogs

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Popular Name: 5-chloro-2-(2-chloroethyl)-1-[2-(1-piperidyl)ethyl]benzimidazole 5-chloro-2-(2-chloroethyl)-1-[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) 3.98 11.47 -50.02 1 3 1 22 327.279 5 ↓
Hi High (pH 8-9.5) 3.98 9.25 -6.11 0 3 0 21 326.271 5 ↓
Lo Low (pH 4.5-6) 3.98 11.89 -103.51 2 3 2 24 328.287 5 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazole 2-(chloromethyl)-5-fluoro-1-[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) 3.25 10.28 -51.28 1 3 1 22 296.797 4 ↓
Hi High (pH 8-9.5) 3.25 8.06 -7 0 3 0 21 295.789 4 ↓

Analogs

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Popular Name: 7-chloro-2-(chloromethyl)-1-[2-(1-piperidyl)ethyl]benzimidazole 7-chloro-2-(chloromethyl)-1-[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) 3.75 10.46 -38.92 1 3 1 22 313.252 4 ↓
Hi High (pH 8-9.5) 3.75 8.24 -6.61 0 3 0 21 312.244 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-5-methyl-1-[2-(1-piperidyl)ethyl]benzimidazole 2-(chloromethyl)-5-methyl-1-[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) 3.54 10.88 -47.43 1 3 1 22 292.834 4 ↓
Hi High (pH 8-9.5) 3.54 8.66 -7.04 0 3 0 21 291.826 4 ↓
Lo Low (pH 4.5-6) 3.54 11.32 -96.02 2 3 2 24 293.842 4 ↓

Analogs

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Popular Name: 5-chloro-2-(chloromethyl)-1-[2-(1-piperidyl)ethyl]benzimidazole 5-chloro-2-(chloromethyl)-1-[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) 3.77 10.72 -49.84 1 3 1 22 313.252 4 ↓
Hi High (pH 8-9.5) 3.77 8.5 -6.41 0 3 0 21 312.244 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-5-fluoro-…

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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) 3.62 10.77 -54.65 1 3 1 22 310.824 4 ↓
Hi High (pH 8-9.5) 3.62 8.56 -7.77 0 3 0 21 309.816 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-5-fluoro-…

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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) 3.62 10.81 -53.13 1 3 1 22 310.824 4 ↓
Hi High (pH 8-9.5) 3.62 8.61 -7.86 0 3 0 21 309.816 4 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazole 2-(2-chloroethyl)-5-fluoro-1-[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) 3.46 11.03 -51.41 1 3 1 22 310.824 5 ↓
Hi High (pH 8-9.5) 3.46 8.81 -6.76 0 3 0 21 309.816 5 ↓
Lo Low (pH 4.5-6) 3.46 11.45 -104.1 2 3 2 24 311.832 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-1-[2-(1-p…

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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 10.7 -50.29 1 3 1 22 292.834 4 ↓
Hi High (pH 8-9.5) 3.48 8.48 -7.58 0 3 0 21 291.826 4 ↓
Lo Low (pH 4.5-6) 3.48 11.1 -96.38 2 3 2 24 293.842 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-1-[2-(1-p…

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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 10.74 -48.82 1 3 1 22 292.834 4 ↓
Hi High (pH 8-9.5) 3.48 8.53 -7.65 0 3 0 21 291.826 4 ↓
Lo Low (pH 4.5-6) 3.48 11.24 -95.22 2 3 2 24 293.842 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloroethyl)-1-[2-(1-piperidyl)ethyl]benzimidazole 2-(2-chloroethyl)-1-[2-(1-piperi…

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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 10.96 -47.11 1 3 1 22 292.834 5 ↓
Hi High (pH 8-9.5) 3.33 8.74 -6.59 0 3 0 21 291.826 5 ↓
Lo Low (pH 4.5-6) 3.33 11.37 -96.98 2 3 2 24 293.842 5 ↓

Analogs

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Popular Name: 7-chloro-2-[(1S)-1-chloroethyl]-1-[2-(1-piperidyl)ethyl]benzimidazole 7-chloro-2-[(1S)-1-chloroethyl]-…

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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) 4.11 11.02 -44.07 1 3 1 22 327.279 4 ↓
Hi High (pH 8-9.5) 4.11 8.82 -6.39 0 3 0 21 326.271 4 ↓

Analogs

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Popular Name: 7-chloro-2-[(1R)-1-chloroethyl]-1-[2-(1-piperidyl)ethyl]benzimidazole 7-chloro-2-[(1R)-1-chloroethyl]-…

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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) 4.11 11.07 -42.4 1 3 1 22 327.279 4 ↓
Hi High (pH 8-9.5) 4.11 8.86 -6.22 0 3 0 21 326.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(2-chloroethyl)-1-[2-(1-piperidyl)ethyl]benzimidazole 7-chloro-2-(2-chloroethyl)-1-[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) 3.96 11.12 -41.16 1 3 1 22 327.279 5 ↓
Hi High (pH 8-9.5) 3.96 8.9 -5.53 0 3 0 21 326.271 5 ↓
Lo Low (pH 4.5-6) 3.96 11.71 -93.37 2 3 2 24 328.287 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-5-methyl-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-5-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) 3.90 11.38 -50.36 1 3 1 22 306.861 4 ↓
Hi High (pH 8-9.5) 3.90 9.16 -7.65 0 3 0 21 305.853 4 ↓
Lo Low (pH 4.5-6) 3.90 11.25 -85.51 2 3 2 24 307.869 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-5-methyl-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-5-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) 3.90 11.42 -49.03 1 3 1 22 306.861 4 ↓
Hi High (pH 8-9.5) 3.90 9.22 -7.89 0 3 0 21 305.853 4 ↓
Lo Low (pH 4.5-6) 3.90 11.92 -95.81 2 3 2 24 307.869 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloroethyl)-5-methyl-1-[2-(1-piperidyl)ethyl]benzimidazole 2-(2-chloroethyl)-5-methyl-1-[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) 3.75 11.63 -47.34 1 3 1 22 306.861 5 ↓
Hi High (pH 8-9.5) 3.75 9.41 -6.63 0 3 0 21 305.853 5 ↓
Lo Low (pH 4.5-6) 3.75 12.05 -97.53 2 3 2 24 307.869 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-4-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-4-fluoro-…

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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) 3.59 10.77 -56.48 1 3 1 22 310.824 4 ↓
Hi High (pH 8-9.5) 3.59 8.55 -10.48 0 3 0 21 309.816 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-4-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-4-fluoro-…

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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) 3.59 10.8 -55.08 1 3 1 22 310.824 4 ↓
Hi High (pH 8-9.5) 3.59 8.6 -10.61 0 3 0 21 309.816 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloroethyl)-4-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazole 2-(2-chloroethyl)-4-fluoro-1-[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) 3.44 11.02 -53.08 1 3 1 22 310.824 5 ↓
Hi High (pH 8-9.5) 3.44 8.8 -9.16 0 3 0 21 309.816 5 ↓

Analogs

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Popular Name: 2-(chloromethyl)-4-fluoro-1-[2-(1-piperidyl)ethyl]benzimidazole 2-(chloromethyl)-4-fluoro-1-[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) 3.23 10.27 -52.96 1 3 1 22 296.797 4 ↓
Hi High (pH 8-9.5) 3.23 8.05 -9.56 0 3 0 21 295.789 4 ↓

Analogs

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Popular Name: 2-methyl-1-[2-(1-piperidyl)ethyl]benzimidazole-5-carboxylic 2-methyl-1-[2-(1-piperidyl)ethyl…

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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) 2.41 10.24 -88.04 1 5 0 62 287.363 4 ↓
Hi High (pH 8-9.5) 2.41 8.04 -54.88 0 5 -1 61 286.355 4 ↓
Lo Low (pH 4.5-6) 2.41 10.68 -115.37 2 5 1 64 288.371 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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