2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid

C19H17ClN2O2 — CID 23516040

IUPAC2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C1CCCC1
InChIInChI=1S/C19H17ClN2O2/c20-14-8-5-12(6-9-14)18-21-16-11-13(19(23)24)7-10-17(16)22(18)15-3-1-2-4-15/h5-11,15H,1-4H2,(H,23,24)
InChIKeyZJEFYWNKXZWKFU-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.17
Rot. Bonds3

About 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid

2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid (PubChem CID 23516040) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
PubChem CID23516040
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C1CCCC1
InChIInChI=1S/C19H17ClN2O2/c20-14-8-5-12(6-9-14)18-21-16-11-13(19(23)24)7-10-17(16)22(18)15-3-1-2-4-15/h5-11,15H,1-4H2,(H,23,24)
InChIKeyZJEFYWNKXZWKFU-UHFFFAOYSA-N
XLogP5.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid 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

2-[4-(2-carboxyethenyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 74058096
1-cyclohexyl-2-[4-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515558
2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 135730670
2-[2-[(4-chlorophenyl)carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 5276128
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
CID 68925913
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515819
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
2-[4-[[2-(4-chlorophenyl)-5-(dimethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 11845101
2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 11181341
1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515674
2-[4-[[2-(4-chlorophenyl)-5-methylphenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;formamide
CID 142962536

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid (CID 23516040) is 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The InChIKey is ZJEFYWNKXZWKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-14-8-5-12(6-9-14)18-21-16-11-13(19(23)24)7-10-17(16)22(18)15-3-1-2-4-15/h5-11,15H,1-4H2,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid has a molecular weight of 340.81 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 23516040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).