1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole

C33H25ClN2O — CID 170765439

IUPAC1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
SMILESClc1ccc(Cn2c(-c3ccc(-c4ccccc4)cc3)nc3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C33H25ClN2O/c34-29-17-11-24(12-18-29)22-36-32-20-19-30(37-23-25-7-3-1-4-8-25)21-31(32)35-33(36)28-15-13-27(14-16-28)26-9-5-2-6-10-26/h1-21H,22-23H2
InChIKeyDOLQYYZJHWYYOO-UHFFFAOYSA-N
MW501.03 g/mol
LogP8.65
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole

1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole (PubChem CID 170765439) has the molecular formula C33H25ClN2O and a molecular weight of 501.03 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
PubChem CID170765439
Molecular FormulaC33H25ClN2O
Molecular Weight501.03 g/mol
Exact Mass500.17
IUPAC Name1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
SMILESClc1ccc(Cn2c(-c3ccc(-c4ccccc4)cc3)nc3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C33H25ClN2O/c34-29-17-11-24(12-18-29)22-36-32-20-19-30(37-23-25-7-3-1-4-8-25)21-31(32)35-33(36)28-15-13-27(14-16-28)26-9-5-2-6-10-26/h1-21H,22-23H2
InChIKeyDOLQYYZJHWYYOO-UHFFFAOYSA-N
XLogP8.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
CID 170765469
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
CID 134335662
5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol
CID 170765429
4-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]aniline
CID 92635754
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
CID 57328802
1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
CID 141148615
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
CID 71512806
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole (CID 170765439) is 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole is Clc1ccc(Cn2c(-c3ccc(-c4ccccc4)cc3)nc3cc(OCc4ccccc4)ccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole?
The InChIKey is DOLQYYZJHWYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25ClN2O/c34-29-17-11-24(12-18-29)22-36-32-20-19-30(37-23-25-7-3-1-4-8-25)21-31(32)35-33(36)28-15-13-27(14-16-28)26-9-5-2-6-10-26/h1-21H,22-23H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole?
1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole has a molecular weight of 501.03 g/mol, XLogP of 8.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole is sourced from PubChem (CID 170765439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).