1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid

C26H24N2O3 — CID 10158598

IUPAC1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCC1
InChIInChI=1S/C26H24N2O3/c29-26(30)20-12-15-24-23(16-20)27-25(28(24)21-8-4-5-9-21)19-10-13-22(14-11-19)31-17-18-6-2-1-3-7-18/h1-3,6-7,10-16,21H,4-5,8-9,17H2,(H,29,30)
InChIKeyMOBWPWFLKIDCCI-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.10
Rot. Bonds6

About 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid

1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 10158598) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID10158598
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCC1
InChIInChI=1S/C26H24N2O3/c29-26(30)20-12-15-24-23(16-20)27-25(28(24)21-8-4-5-9-21)19-10-13-22(14-11-19)31-17-18-6-2-1-3-7-18/h1-3,6-7,10-16,21H,4-5,8-9,17H2,(H,29,30)
InChIKeyMOBWPWFLKIDCCI-UHFFFAOYSA-N
XLogP6.10
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid (CID 10158598) is 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is MOBWPWFLKIDCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-26(30)20-12-15-24-23(16-20)27-25(28(24)21-8-4-5-9-21)19-10-13-22(14-11-19)31-17-18-6-2-1-3-7-18/h1-3,6-7,10-16,21H,4-5,8-9,17H2,(H,29,30).
What are the key properties of 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 412.49 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10158598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).