3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid

C15H11ClN2O3 — CID 115932710

IUPAC3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid
SMILESCOc1ccc(Cl)cc1-n1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C15H11ClN2O3/c1-21-13-6-5-9(16)7-12(13)18-8-17-11-4-2-3-10(14(11)18)15(19)20/h2-8H,1H3,(H,19,20)
InChIKeyFAGFMTJSGJSCJL-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.39
Rot. Bonds3

About 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid

3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid (PubChem CID 115932710) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid
PubChem CID115932710
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid
SMILESCOc1ccc(Cl)cc1-n1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C15H11ClN2O3/c1-21-13-6-5-9(16)7-12(13)18-8-17-11-4-2-3-10(14(11)18)15(19)20/h2-8H,1H3,(H,19,20)
InChIKeyFAGFMTJSGJSCJL-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933110
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322
1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 94288870
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
3-(3-chloro-4-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932693
3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115933623
3-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
2-(benzimidazol-1-yl)-4-chlorobenzoic acid
CID 63082519
3-[1-(3-chlorophenyl)ethyl]benzimidazole-4-carboxylic acid
CID 115933104
3-[(4-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115932612
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 4288193

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid (CID 115932710) is 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid is COc1ccc(Cl)cc1-n1cnc2cccc(C(=O)O)c21.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid?
The InChIKey is FAGFMTJSGJSCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-21-13-6-5-9(16)7-12(13)18-8-17-11-4-2-3-10(14(11)18)15(19)20/h2-8H,1H3,(H,19,20).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid?
3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115932710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).