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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

390941
390941

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Popular Name: 2,2,2-trifluoro-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone 2,2,2-trifluoro-1-[2-(phenoxymet…

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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) 4.06 8.54 -8.95 0 4 0 44 320.27 4 ↓

Analogs

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Popular Name: N,N-diethyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide N,N-diethyl-2-[2-(phenoxymethyl)…

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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) 3.36 10.65 -15.92 0 5 0 47 337.423 7 ↓
Lo Low (pH 4.5-6) 3.36 11.33 -32.63 1 5 1 49 338.431 7 ↓

Analogs

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Popular Name: 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N,N-dipropyl-acetamide 2-[2-(phenoxymethyl)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) 4.36 12.17 -15.39 0 5 0 47 365.477 9 ↓
Lo Low (pH 4.5-6) 4.36 12.84 -32.63 1 5 1 49 366.485 9 ↓

Analogs

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Popular Name: N,N-diallyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide N,N-diallyl-2-[2-(phenoxymethyl)…

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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 11.81 -15.37 0 5 0 47 361.445 9 ↓
Lo Low (pH 4.5-6) 3.89 12.48 -32.72 1 5 1 49 362.453 9 ↓

Analogs

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Popular Name: N,N-diisobutyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide N,N-diisobutyl-2-[2-(phenoxymeth…

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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) 4.85 13.23 -15.09 0 5 0 47 393.531 9 ↓
Lo Low (pH 4.5-6) 4.85 13.84 -31.76 1 5 1 49 394.539 9 ↓

Analogs

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Popular Name: N-butyl-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide N-butyl-N-methyl-2-[2-(phenoxyme…

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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) 4.04 11.28 -16.53 0 5 0 47 351.45 8 ↓
Lo Low (pH 4.5-6) 4.04 11.95 -33.21 1 5 1 49 352.458 8 ↓

Analogs

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Popular Name: ethyl 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) 3.49 10.24 -13.4 0 5 0 53 310.353 7 ↓
Lo Low (pH 4.5-6) 3.49 10.9 -31.85 1 5 1 55 311.361 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 3.86 10.95 -13.3 0 5 0 53 324.38 7 ↓
Lo Low (pH 4.5-6) 3.86 11.62 -31.47 1 5 1 55 325.388 7 ↓

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-N-[(1S)-1-methylpropyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide N-[(1R)-1-methylpropyl]-N-[(1S)-…

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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) 5.02 13.57 -14.09 0 5 0 47 393.531 9 ↓
Lo Low (pH 4.5-6) 5.02 13.81 -30.87 1 5 1 49 394.539 9 ↓

Analogs

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Popular Name: N,N-bis[(1S)-1-methylpropyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide N,N-bis[(1S)-1-methylpropyl]-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) 5.02 13.22 -14.29 0 5 0 47 393.531 9 ↓
Lo Low (pH 4.5-6) 5.02 13.74 -31.91 1 5 1 49 394.539 9 ↓

Analogs

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Popular Name: N,N-bis[(1R)-1-methylpropyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide N,N-bis[(1R)-1-methylpropyl]-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) 5.02 13.37 -14.14 0 5 0 47 393.531 9 ↓
Lo Low (pH 4.5-6) 5.02 13.48 -32.5 1 5 1 49 394.539 9 ↓

Analogs

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Popular Name: (3S)-3-[2-(phenoxymethyl)benzimidazol-1-yl]butan-2-one (3S)-3-[2-(phenoxymethyl)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) 3.16 9.32 -10.73 0 4 0 44 294.354 5 ↓
Lo Low (pH 4.5-6) 3.16 9.98 -32.44 1 4 1 45 295.362 5 ↓

Analogs

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Popular Name: (3R)-3-[2-(phenoxymethyl)benzimidazol-1-yl]butan-2-one (3R)-3-[2-(phenoxymethyl)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) 3.16 9.33 -11.67 0 4 0 44 294.354 5 ↓
Lo Low (pH 4.5-6) 3.16 9.98 -32.44 1 4 1 45 295.362 5 ↓

Analogs

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Popular Name: 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethyl-acetamide 2-[2-[(4-chlorophenoxy)methyl]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) 4.04 11.17 -15.22 0 5 0 47 371.868 7 ↓
Lo Low (pH 4.5-6) 4.04 11.84 -35.34 1 5 1 49 372.876 7 ↓

Analogs

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Popular Name: 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diisopropyl-acetamide 2-[2-[(4-chlorophenoxy)methyl]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) 4.63 11.59 -14.19 0 5 0 47 399.922 7 ↓
Lo Low (pH 4.5-6) 4.63 12.31 -33.86 1 5 1 49 400.93 7 ↓

Analogs

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Popular Name: 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dipropyl-acetamide 2-[2-[(4-chlorophenoxy)methyl]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) 5.04 12.69 -14.71 0 5 0 47 399.922 9 ↓
Lo Low (pH 4.5-6) 5.04 13.35 -35.35 1 5 1 49 400.93 9 ↓

Analogs

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Popular Name: N,N-diallyl-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetamide N,N-diallyl-2-[2-[(4-chloropheno…

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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) 4.57 12.33 -14.72 0 5 0 47 395.89 9 ↓
Lo Low (pH 4.5-6) 4.57 12.99 -35.46 1 5 1 49 396.898 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diisobutyl-acetamide 2-[2-[(4-chlorophenoxy)methyl]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) 5.53 13.69 -13.73 0 5 0 47 427.976 9 ↓
Lo Low (pH 4.5-6) 5.53 14.41 -35.22 1 5 1 49 428.984 9 ↓

Analogs

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Popular Name: N-butyl-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-methyl-acetamide N-butyl-2-[2-[(4-chlorophenoxy)m…

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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) 4.72 11.8 -15.83 0 5 0 47 385.895 8 ↓
Lo Low (pH 4.5-6) 4.72 12.45 -35.91 1 5 1 49 386.903 8 ↓

Analogs

39759638
39759638
39759639
39759639

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Popular Name: ethyl 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) 4.17 10.76 -12.82 0 5 0 53 344.798 7 ↓
Lo Low (pH 4.5-6) 4.17 11.41 -34.69 1 5 1 55 345.806 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 4.53 11.47 -12.77 0 5 0 53 358.825 7 ↓
Lo Low (pH 4.5-6) 4.53 12.13 -34.28 1 5 1 55 359.833 7 ↓

Analogs

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Popular Name: 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[(1R)-1-methylpropyl]-N-[(1S)-1-methylpropyl]acet 2-[2-[(4-chlorophenoxy)methyl]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) 5.70 13.65 -14.01 0 5 0 47 427.976 9 ↓
Lo Low (pH 4.5-6) 5.70 14.73 -34.43 1 5 1 49 428.984 9 ↓

Analogs

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Popular Name: 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-bis[(1S)-1-methylpropyl]acetamide 2-[2-[(4-chlorophenoxy)methyl]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) 5.70 13.58 -14.31 0 5 0 47 427.976 9 ↓
Lo Low (pH 4.5-6) 5.70 14.42 -32.58 1 5 1 49 428.984 9 ↓

Analogs

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Popular Name: 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-bis[(1R)-1-methylpropyl]acetamide 2-[2-[(4-chlorophenoxy)methyl]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) 5.70 13.34 -14.52 0 5 0 47 427.976 9 ↓
Lo Low (pH 4.5-6) 5.70 14.59 -32.79 1 5 1 49 428.984 9 ↓

Analogs

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Popular Name: (3S)-3-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]butan-2-one (3S)-3-[2-[(4-chlorophenoxy)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) 3.84 9.83 -10.95 0 4 0 44 328.799 5 ↓
Lo Low (pH 4.5-6) 3.84 10.5 -35.94 1 4 1 45 329.807 5 ↓

Analogs

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Popular Name: (3R)-3-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]butan-2-one (3R)-3-[2-[(4-chlorophenoxy)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) 3.84 9.85 -11.82 0 4 0 44 328.799 5 ↓
Lo Low (pH 4.5-6) 3.84 10.51 -36.06 1 4 1 45 329.807 5 ↓

Analogs

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Popular Name: 2-[(2,4-dichlorophenoxy)methyl]-1-hexyl-benzimidazole 2-[(2,4-dichlorophenoxy)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) 6.99 13.23 -10.17 0 3 0 27 377.315 8 ↓
Mid Mid (pH 6-8) 6.99 13.89 -32.1 1 3 1 28 378.323 8 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethyl-acetamide 2-[2-[(2,4-dichlorophenoxy)methy…

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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) 4.64 11.72 -15.58 0 5 0 47 406.313 7 ↓
Lo Low (pH 4.5-6) 4.64 12.39 -36.65 1 5 1 49 407.321 7 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diisopropyl-acetamide 2-[2-[(2,4-dichlorophenoxy)methy…

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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) 5.24 12.14 -14.92 0 5 0 47 434.367 7 ↓
Lo Low (pH 4.5-6) 5.24 12.86 -35.25 1 5 1 49 435.375 7 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dipropyl-acetamide 2-[2-[(2,4-dichlorophenoxy)methy…

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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) 5.65 13.24 -15.08 0 5 0 47 434.367 9 ↓
Lo Low (pH 4.5-6) 5.65 13.9 -36.67 1 5 1 49 435.375 9 ↓

Analogs

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Popular Name: N,N-diallyl-2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]acetamide N,N-diallyl-2-[2-[(2,4-dichlorop…

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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) 5.18 12.88 -15.15 0 5 0 47 430.335 9 ↓
Lo Low (pH 4.5-6) 5.18 13.54 -36.87 1 5 1 49 431.343 9 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diisobutyl-acetamide 2-[2-[(2,4-dichlorophenoxy)methy…

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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) 6.13 14.23 -14.07 0 5 0 47 462.421 9 ↓
Lo Low (pH 4.5-6) 6.13 14.9 -35.5 1 5 1 49 463.429 9 ↓

Analogs

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Popular Name: N-butyl-2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-methyl-acetamide N-butyl-2-[2-[(2,4-dichloropheno…

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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) 5.33 12.35 -16.11 0 5 0 47 420.34 8 ↓
Lo Low (pH 4.5-6) 5.33 13.01 -37.28 1 5 1 49 421.348 8 ↓

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) 4.40 10.37 -13.8 0 5 0 53 365.216 6 ↓
Lo Low (pH 4.5-6) 4.40 11.04 -36.31 1 5 1 55 366.224 6 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 5.14 12.02 -13.32 0 5 0 53 393.27 7 ↓
Lo Low (pH 4.5-6) 5.14 12.68 -35.49 1 5 1 55 394.278 7 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-[(1R)-1-methylpropyl]-N-[(1S)-1-methylpropyl] 2-[2-[(2,4-dichlorophenoxy)methy…

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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) 6.31 14.64 -13.71 0 5 0 47 462.421 9 ↓
Lo Low (pH 4.5-6) 6.31 14.87 -35.17 1 5 1 49 463.429 9 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-bis[(1S)-1-methylpropyl]acetamide 2-[2-[(2,4-dichlorophenoxy)methy…

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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) 6.31 14.29 -13.87 0 5 0 47 462.421 9 ↓
Lo Low (pH 4.5-6) 6.31 14.8 -36.12 1 5 1 49 463.429 9 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-bis[(1R)-1-methylpropyl]acetamide 2-[2-[(2,4-dichlorophenoxy)methy…

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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) 6.31 14.44 -13.93 0 5 0 47 462.421 9 ↓
Lo Low (pH 4.5-6) 6.31 14.54 -36.74 1 5 1 49 463.429 9 ↓

Analogs

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Popular Name: (3S)-3-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]butan-2-one (3S)-3-[2-[(2,4-dichlorophenoxy)…

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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) 4.45 10.36 -17.42 0 4 0 44 363.244 5 ↓
Lo Low (pH 4.5-6) 4.45 11.04 -37.47 1 4 1 45 364.252 5 ↓

Analogs

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Popular Name: (3R)-3-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]butan-2-one (3R)-3-[2-[(2,4-dichlorophenoxy)…

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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) 4.45 10.39 -15.53 0 4 0 44 363.244 5 ↓
Lo Low (pH 4.5-6) 4.45 11.05 -37.5 1 4 1 45 364.252 5 ↓

Analogs

31936550
31936550
31936551
31936551

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Popular Name: 2-[(2-chlorophenoxy)methyl]-1-ethyl-benzimidazole 2-[(2-chlorophenoxy)methyl]-1-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) 4.26 9.62 -11.68 0 3 0 27 286.762 4 ↓
Lo Low (pH 4.5-6) 4.26 10.28 -28.59 1 3 1 28 287.77 4 ↓

Analogs

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Popular Name: 2-[(2-chlorophenoxy)methyl]-1-methyl-benzimidazole 2-[(2-chlorophenoxy)methyl]-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) 3.88 8.72 -12.23 0 3 0 27 272.735 3 ↓
Lo Low (pH 4.5-6) 3.88 9.38 -29.53 1 3 1 28 273.743 3 ↓

Analogs

31936550
31936550

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Popular Name: 2-[(2-chlorophenoxy)methyl]-1-propyl-benzimidazole 2-[(2-chlorophenoxy)methyl]-1-pr…

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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) 4.76 10.37 -11.18 0 3 0 27 300.789 5 ↓
Lo Low (pH 4.5-6) 4.76 11.03 -28.39 1 3 1 28 301.797 5 ↓

Analogs

6564753
6564753
6564769
6564769

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Popular Name: 2-[(2-chlorophenoxy)methyl]-1-isobutyl-benzimidazole 2-[(2-chlorophenoxy)methyl]-1-is…

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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) 5.01 10.78 -10.88 0 3 0 27 314.816 5 ↓
Lo Low (pH 4.5-6) 5.01 11.14 -27.52 1 3 1 28 315.824 5 ↓

Analogs

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Popular Name: 2-[(2-chlorophenoxy)methyl]-1-(2-methylallyl)benzimidazole 2-[(2-chlorophenoxy)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) 5.08 10.72 -11.36 0 3 0 27 312.8 5 ↓
Mid Mid (pH 6-8) 5.08 11.35 -28.09 1 3 1 28 313.808 5 ↓

Analogs

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Popular Name: 1-(2-bromoallyl)-2-[(2-chlorophenoxy)methyl]benzimidazole 1-(2-bromoallyl)-2-[(2-chlorophe…

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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) 4.99 10.67 -11.57 0 3 0 27 377.669 5 ↓
Lo Low (pH 4.5-6) 4.99 11.34 -27.56 1 3 1 28 378.677 5 ↓

Analogs

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Popular Name: 1-allyl-2-[(2-chlorophenoxy)methyl]benzimidazole 1-allyl-2-[(2-chlorophenoxy)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) 4.53 10.18 -11.36 0 3 0 27 298.773 5 ↓
Lo Low (pH 4.5-6) 4.53 10.84 -28.55 1 3 1 28 299.781 5 ↓

Analogs

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Popular Name: 2-[(2-chlorophenoxy)methyl]-1-prop-2-ynyl-benzimidazole 2-[(2-chlorophenoxy)methyl]-1-pr…

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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) 4.04 10.14 -11.82 0 3 0 27 296.757 4 ↓
Lo Low (pH 4.5-6) 4.04 10.8 -29.36 1 3 1 28 297.765 4 ↓

Analogs

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Popular Name: 1-butyl-2-[(2-chlorophenoxy)methyl]benzimidazole 1-butyl-2-[(2-chlorophenoxy)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) 5.32 11.15 -11.1 0 3 0 27 314.816 6 ↓
Lo Low (pH 4.5-6) 5.32 11.82 -28.91 1 3 1 28 315.824 6 ↓

Analogs

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Popular Name: 2-[(2-chlorophenoxy)methyl]-1-[(2R)-2-methylbutyl]benzimidazole 2-[(2-chlorophenoxy)methyl]-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) 5.51 11.13 -10.96 0 3 0 27 328.843 6 ↓
Lo Low (pH 4.5-6) 5.51 11.79 -27.94 1 3 1 28 329.851 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 1703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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