1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid

C14H8ClFN2O2 — CID 107368788

IUPAC1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H8ClFN2O2/c15-9-4-10(16)6-11(5-9)18-7-17-12-3-8(14(19)20)1-2-13(12)18/h1-7H,(H,19,20)
InChIKeyWWBLGWRGTKFEKB-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.52
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid

1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 107368788) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID107368788
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H8ClFN2O2/c15-9-4-10(16)6-11(5-9)18-7-17-12-3-8(14(19)20)1-2-13(12)18/h1-7H,(H,19,20)
InChIKeyWWBLGWRGTKFEKB-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-5-fluorophenyl)benzimidazole-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-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid (CID 107368788) is 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2-c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is WWBLGWRGTKFEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-9-4-10(16)6-11(5-9)18-7-17-12-3-8(14(19)20)1-2-13(12)18/h1-7H,(H,19,20).
What are the key properties of 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid?
1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 290.68 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 107368788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).