2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid

C29H18ClN3O2 — CID 5275979

IUPAC2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc4nc(-c5ccccc5-c5ccc(Cl)cc5)ccc4c3)[nH]c2c1
InChIInChI=1S/C29H18ClN3O2/c30-21-10-5-17(6-11-21)22-3-1-2-4-23(22)25-13-7-18-15-19(8-12-24(18)31-25)28-32-26-14-9-20(29(34)35)16-27(26)33-28/h1-16H,(H,32,33)(H,34,35)
InChIKeySJDOXUXYQUMQOG-UHFFFAOYSA-N
MW475.94 g/mol
LogP7.46
Rot. Bonds4

About 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid

2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 5275979) has the molecular formula C29H18ClN3O2 and a molecular weight of 475.94 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid
PubChem CID5275979
Molecular FormulaC29H18ClN3O2
Molecular Weight475.94 g/mol
Exact Mass475.11
IUPAC Name2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc4nc(-c5ccccc5-c5ccc(Cl)cc5)ccc4c3)[nH]c2c1
InChIInChI=1S/C29H18ClN3O2/c30-21-10-5-17(6-11-21)22-3-1-2-4-23(22)25-13-7-18-15-19(8-12-24(18)31-25)28-32-26-14-9-20(29(34)35)16-27(26)33-28/h1-16H,(H,32,33)(H,34,35)
InChIKeySJDOXUXYQUMQOG-UHFFFAOYSA-N
XLogP7.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.94
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
6-phenyl-2-(2-phenylphenyl)quinoline
CID 141343784
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid (CID 5275979) is 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc4nc(-c5ccccc5-c5ccc(Cl)cc5)ccc4c3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is SJDOXUXYQUMQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClN3O2/c30-21-10-5-17(6-11-21)22-3-1-2-4-23(22)25-13-7-18-15-19(8-12-24(18)31-25)28-32-26-14-9-20(29(34)35)16-27(26)33-28/h1-16H,(H,32,33)(H,34,35).
What are the key properties of 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid?
2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 475.94 g/mol, XLogP of 7.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 5275979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).