1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid

C15H10ClFN2O2 — CID 61470338

IUPAC1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-13-6-9(15(20)21)2-5-14(13)19(8)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,20,21)
InChIKeyODCNLCDJOYEKNR-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.82
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid

1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 61470338) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID61470338
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-13-6-9(15(20)21)2-5-14(13)19(8)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,20,21)
InChIKeyODCNLCDJOYEKNR-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 61470338) is 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is ODCNLCDJOYEKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-8-18-13-6-9(15(20)21)2-5-14(13)19(8)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 304.71 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 61470338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).