6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid

C14H8F2N2O2 — CID 143868897

IUPAC6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)ncn2-c1ccc(F)cc1
InChIInChI=1S/C14H8F2N2O2/c15-8-1-3-9(4-2-8)18-7-17-12-6-11(16)10(14(19)20)5-13(12)18/h1-7H,(H,19,20)
InChIKeyIADMLTUQHQWHMA-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.00
Rot. Bonds2

About 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid

6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 143868897) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID143868897
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)ncn2-c1ccc(F)cc1
InChIInChI=1S/C14H8F2N2O2/c15-8-1-3-9(4-2-8)18-7-17-12-6-11(16)10(14(19)20)5-13(12)18/h1-7H,(H,19,20)
InChIKeyIADMLTUQHQWHMA-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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid (CID 143868897) is 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1cc2c(cc1F)ncn2-c1ccc(F)cc1.
What is the InChIKey of 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is IADMLTUQHQWHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-8-1-3-9(4-2-8)18-7-17-12-6-11(16)10(14(19)20)5-13(12)18/h1-7H,(H,19,20).
What are the key properties of 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid?
6-fluoro-3-(4-fluorophenyl)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 6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 143868897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).