2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid

C21H14F2N2O2 — CID 46945993

IUPAC2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4F)cc3F)[nH]c2c1
InChIInChI=1S/C21H14F2N2O2/c1-11-8-15(21(26)27)19-18(9-11)24-20(25-19)14-7-6-12(10-17(14)23)13-4-2-3-5-16(13)22/h2-10H,1H3,(H,24,25)(H,26,27)
InChIKeyQPOQVFPGBDUJMU-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.18
Rot. Bonds3

About 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid

2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid (PubChem CID 46945993) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
PubChem CID46945993
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC Name2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4F)cc3F)[nH]c2c1
InChIInChI=1S/C21H14F2N2O2/c1-11-8-15(21(26)27)19-18(9-11)24-20(25-19)14-7-6-12(10-17(14)23)13-4-2-3-5-16(13)22/h2-10H,1H3,(H,24,25)(H,26,27)
InChIKeyQPOQVFPGBDUJMU-UHFFFAOYSA-N
XLogP5.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.18
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]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid (CID 46945993) is 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4F)cc3F)[nH]c2c1.
What is the InChIKey of 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is QPOQVFPGBDUJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c1-11-8-15(21(26)27)19-18(9-11)24-20(25-19)14-7-6-12(10-17(14)23)13-4-2-3-5-16(13)22/h2-10H,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
2-[2-fluoro-4-(2-fluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 364.35 g/mol, XLogP of 5.18, 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]-6-methyl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46945993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).