2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid

C15H11ClN2O2 — CID 63893029

IUPAC2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(-c2ccc(Cl)cc2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H11ClN2O2/c1-18-13-7-4-10(15(19)20)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,19,20)
InChIKeyDLKYQVYABKLKQM-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.59
Rot. Bonds2

About 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid

2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 63893029) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID63893029
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(-c2ccc(Cl)cc2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H11ClN2O2/c1-18-13-7-4-10(15(19)20)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,19,20)
InChIKeyDLKYQVYABKLKQM-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-methyl-1H-1,3-benzodiazole-5-carboxylic acid
CID 1132609
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-(4-fluorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid
CID 17010630
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
4-({(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylacetyl}amino)-3-Fluorobenzoic Acid
CID 49837869
Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
CID 690728
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
4-({(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylacetyl}amino)-3-Methylbenzoic Acid
CID 49837867
4-({(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylacetyl}amino)benzoic Acid
CID 49837870
4-({(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylacetyl}amino)-3,5-Difluorobenzoic Acid
CID 49837871

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid (CID 63893029) is 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid is Cn1c(-c2ccc(Cl)cc2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is DLKYQVYABKLKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-18-13-7-4-10(15(19)20)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid?
2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 63893029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).