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

C15H8ClN3O2 — CID 115933623

IUPAC3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid
SMILESN#Cc1ccc(Cl)c(-n2cnc3cccc(C(=O)O)c32)c1
InChIInChI=1S/C15H8ClN3O2/c16-11-5-4-9(7-17)6-13(11)19-8-18-12-3-1-2-10(14(12)19)15(20)21/h1-6,8H,(H,20,21)
InChIKeyKUYYWSJRVZJAAH-UHFFFAOYSA-N
MW297.70 g/mol
LogP3.25
Rot. Bonds2

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

3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid (PubChem CID 115933623) has the molecular formula C15H8ClN3O2 and a molecular weight of 297.70 g/mol. Its IUPAC name is 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid
PubChem CID115933623
Molecular FormulaC15H8ClN3O2
Molecular Weight297.70 g/mol
Exact Mass297.03
IUPAC Name3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid
SMILESN#Cc1ccc(Cl)c(-n2cnc3cccc(C(=O)O)c32)c1
InChIInChI=1S/C15H8ClN3O2/c16-11-5-4-9(7-17)6-13(11)19-8-18-12-3-1-2-10(14(12)19)15(20)21/h1-6,8H,(H,20,21)
InChIKeyKUYYWSJRVZJAAH-UHFFFAOYSA-N
XLogP3.25
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932693
3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 115932710
3-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
CID 115933592
3-(5-cyano-2-methylphenyl)benzotriazole-4-carboxylic acid
CID 115931950
3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
CID 107602181
3-(2-bromo-4-cyanophenyl)benzotriazole-4-carboxylic acid
CID 107791129
1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115542701
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
CID 107464232
3-thiophen-3-ylbenzimidazole-4-carboxylic acid
CID 112577374
3-(3-bromo-5-methylphenyl)benzimidazole-4-carboxylic acid
CID 107576705

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid (CID 115933623) is 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid is N#Cc1ccc(Cl)c(-n2cnc3cccc(C(=O)O)c32)c1.
What is the InChIKey of 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid?
The InChIKey is KUYYWSJRVZJAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O2/c16-11-5-4-9(7-17)6-13(11)19-8-18-12-3-1-2-10(14(12)19)15(20)21/h1-6,8H,(H,20,21).
What are the key properties of 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid?
3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid has a molecular weight of 297.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).