1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid

C37H33N3O3 — CID 5275993

IUPAC1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESCOc1ccc(-c2cccc(C)c2)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C37H33N3O3/c1-23-7-6-8-24(19-23)30-15-14-29(43-2)22-31(30)33-17-11-25-20-26(12-16-32(25)38-33)36-39-34-21-27(37(41)42)13-18-35(34)40(36)28-9-4-3-5-10-28/h6-8,11-22,28H,3-5,9-10H2,1-2H3,(H,41,42)
InChIKeyPFYGILFQDSOXQV-UHFFFAOYSA-N
MW567.69 g/mol
LogP9.11
Rot. Bonds6

About 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid (PubChem CID 5275993) has the molecular formula C37H33N3O3 and a molecular weight of 567.69 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid
PubChem CID5275993
Molecular FormulaC37H33N3O3
Molecular Weight567.69 g/mol
Exact Mass567.25
IUPAC Name1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESCOc1ccc(-c2cccc(C)c2)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C37H33N3O3/c1-23-7-6-8-24(19-23)30-15-14-29(43-2)22-31(30)33-17-11-25-20-26(12-16-32(25)38-33)36-39-34-21-27(37(41)42)13-18-35(34)40(36)28-9-4-3-5-10-28/h6-8,11-22,28H,3-5,9-10H2,1-2H3,(H,41,42)
InChIKeyPFYGILFQDSOXQV-UHFFFAOYSA-N
XLogP9.11
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]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-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid (CID 5275993) is 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid is COc1ccc(-c2cccc(C)c2)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)c1.
What is the InChIKey of 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid?
The InChIKey is PFYGILFQDSOXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N3O3/c1-23-7-6-8-24(19-23)30-15-14-29(43-2)22-31(30)33-17-11-25-20-26(12-16-32(25)38-33)36-39-34-21-27(37(41)42)13-18-35(34)40(36)28-9-4-3-5-10-28/h6-8,11-22,28H,3-5,9-10H2,1-2H3,(H,41,42).
What are the key properties of 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid has a molecular weight of 567.69 g/mol, XLogP of 9.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-[5-methoxy-2-(3-methylphenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 5275993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).