1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid

C14H8F2N2O2 — CID 3520018

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

About 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid

1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 3520018) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID3520018
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F2N2O2/c15-10-3-2-9(6-11(10)16)18-7-17-12-5-8(14(19)20)1-4-13(12)18/h1-7H,(H,19,20)
InChIKeyZXIZLNKZYFQNDT-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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Related Compounds

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2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
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Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
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CID 146316027

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid (CID 3520018) is 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is ZXIZLNKZYFQNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-10-3-2-9(6-11(10)16)18-7-17-12-5-8(14(19)20)1-4-13(12)18/h1-7H,(H,19,20).
What are the key properties of 1-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid?
1-(3,4-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-(3,4-difluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 3520018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).