1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid

C14H8F2N2O2 — CID 23856013

IUPAC1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccc(F)cc1F
InChIInChI=1S/C14H8F2N2O2/c15-9-2-4-12(10(16)6-9)18-7-17-11-5-8(14(19)20)1-3-13(11)18/h1-7H,(H,19,20)
InChIKeyAVJUYHNXUOMUIA-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.00
Rot. Bonds2

About 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid

1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 23856013) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID23856013
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccc(F)cc1F
InChIInChI=1S/C14H8F2N2O2/c15-9-2-4-12(10(16)6-9)18-7-17-11-5-8(14(19)20)1-3-13(11)18/h1-7H,(H,19,20)
InChIKeyAVJUYHNXUOMUIA-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)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-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid (CID 23856013) is 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is AVJUYHNXUOMUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-9-2-4-12(10(16)6-9)18-7-17-11-5-8(14(19)20)1-3-13(11)18/h1-7H,(H,19,20).
What are the key properties of 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid?
1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23856013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).