2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

C20H12F2N2O2 — CID 46945989

IUPAC2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4F)cc3F)nc12
InChIInChI=1S/C20H12F2N2O2/c21-15-6-2-1-4-12(15)11-8-9-13(16(22)10-11)19-23-17-7-3-5-14(20(25)26)18(17)24-19/h1-10H,(H,23,24)(H,25,26)
InChIKeyWNDRUXLWVOPPBV-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.87
Rot. Bonds3

About 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 46945989) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID46945989
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4F)cc3F)nc12
InChIInChI=1S/C20H12F2N2O2/c21-15-6-2-1-4-12(15)11-8-9-13(16(22)10-11)19-23-17-7-3-5-14(20(25)26)18(17)24-19/h1-10H,(H,23,24)(H,25,26)
InChIKeyWNDRUXLWVOPPBV-UHFFFAOYSA-N
XLogP4.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (CID 46945989) is 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4F)cc3F)nc12.
What is the InChIKey of 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is WNDRUXLWVOPPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-15-6-2-1-4-12(15)11-8-9-13(16(22)10-11)19-23-17-7-3-5-14(20(25)26)18(17)24-19/h1-10H,(H,23,24)(H,25,26).
What are the key properties of 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 350.32 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46945989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).