1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid

C38H35N3O4 — CID 5276075

IUPAC1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESCCOc1ccc(-c2ccc(OC)cc2-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)cc1
InChIInChI=1S/C38H35N3O4/c1-3-45-29-14-9-24(10-15-29)31-17-16-30(44-2)23-32(31)34-19-11-25-21-26(12-18-33(25)39-34)37-40-35-22-27(38(42)43)13-20-36(35)41(37)28-7-5-4-6-8-28/h9-23,28H,3-8H2,1-2H3,(H,42,43)
InChIKeyORACTQNRGCZUTM-UHFFFAOYSA-N
MW597.72 g/mol
LogP9.20
Rot. Bonds8

About 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid (PubChem CID 5276075) has the molecular formula C38H35N3O4 and a molecular weight of 597.72 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid
PubChem CID5276075
Molecular FormulaC38H35N3O4
Molecular Weight597.72 g/mol
Exact Mass597.26
IUPAC Name1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESCCOc1ccc(-c2ccc(OC)cc2-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)cc1
InChIInChI=1S/C38H35N3O4/c1-3-45-29-14-9-24(10-15-29)31-17-16-30(44-2)23-32(31)34-19-11-25-21-26(12-18-33(25)39-34)37-40-35-22-27(38(42)43)13-20-36(35)41(37)28-7-5-4-6-8-28/h9-23,28H,3-8H2,1-2H3,(H,42,43)
InChIKeyORACTQNRGCZUTM-UHFFFAOYSA-N
XLogP9.20
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 59.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]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

Related Compounds

Jtk-109
CID 11686018
Naperiglipron
CID 155433819
1-[3-(2-Ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 155294513
2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098
2-[4-[[2-(4-Chlorophenyl)-5-methoxy-phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 504693
2-[4-[[2-(4-Chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 513150
(11E)-11-[2-[6-[hydroxy(phenyl)methyl]benzimidazol-1-yl]ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10051178
1-[(2E)-2-(2-carboxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid
CID 10071103
2-[4-[Bis(4-fluorophenyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10120254
2-[4-[[2-(4-Chlorophenyl)-5-(methylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10122014
1-Cyclohexyl-2-[4-(5-phenylpentoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10140778
2-[4-(Biphenyl-2-ylmethoxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 10141859

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid (CID 5276075) is 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid is CCOc1ccc(-c2ccc(OC)cc2-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)cc1.
What is the InChIKey of 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid?
The InChIKey is ORACTQNRGCZUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O4/c1-3-45-29-14-9-24(10-15-29)31-17-16-30(44-2)23-32(31)34-19-11-25-21-26(12-18-33(25)39-34)37-40-35-22-27(38(42)43)13-20-36(35)41(37)28-7-5-4-6-8-28/h9-23,28H,3-8H2,1-2H3,(H,42,43).
What are the key properties of 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid has a molecular weight of 597.72 g/mol, XLogP of 9.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-[2-(4-ethoxyphenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 5276075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).