2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid

C34H31ClN2O3 — CID 10143976

IUPAC2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESCc1ccc(-c2ccc(Cl)cc2COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)cc2)cc1
InChIInChI=1S/C34H31ClN2O3/c1-22-7-9-23(10-8-22)30-17-14-27(35)19-26(30)21-40-29-15-11-24(12-16-29)33-36-31-20-25(34(38)39)13-18-32(31)37(33)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,38,39)
InChIKeyYFVKICOQRQSENA-UHFFFAOYSA-N
MW551.09 g/mol
LogP9.11
Rot. Bonds7

About 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid

2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid (PubChem CID 10143976) has the molecular formula C34H31ClN2O3 and a molecular weight of 551.09 g/mol. Its IUPAC name is 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
PubChem CID10143976
Molecular FormulaC34H31ClN2O3
Molecular Weight551.09 g/mol
Exact Mass550.20
IUPAC Name2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESCc1ccc(-c2ccc(Cl)cc2COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)cc2)cc1
InChIInChI=1S/C34H31ClN2O3/c1-22-7-9-23(10-8-22)30-17-14-27(35)19-26(30)21-40-29-15-11-24(12-16-29)33-36-31-20-25(34(38)39)13-18-32(31)37(33)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,38,39)
InChIKeyYFVKICOQRQSENA-UHFFFAOYSA-N
XLogP9.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.09
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-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 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid (CID 10143976) is 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid is Cc1ccc(-c2ccc(Cl)cc2COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The InChIKey is YFVKICOQRQSENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31ClN2O3/c1-22-7-9-23(10-8-22)30-17-14-27(35)19-26(30)21-40-29-15-11-24(12-16-29)33-36-31-20-25(34(38)39)13-18-32(31)37(33)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,38,39).
What are the key properties of 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid has a molecular weight of 551.09 g/mol, XLogP of 9.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-chloro-2-(4-methylphenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 10143976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).