6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid

C20H12ClFN2O2 — CID 46946580

IUPAC6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12
InChIInChI=1S/C20H12ClFN2O2/c21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)14-7-6-12(8-16(14)22)11-4-2-1-3-5-11/h1-10H,(H,23,24)(H,25,26)
InChIKeyFMLQMILUGHYCCC-UHFFFAOYSA-N
MW366.78 g/mol
LogP5.39
Rot. Bonds3

About 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid

6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 46946580) has the molecular formula C20H12ClFN2O2 and a molecular weight of 366.78 g/mol. Its IUPAC name is 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID46946580
Molecular FormulaC20H12ClFN2O2
Molecular Weight366.78 g/mol
Exact Mass366.06
IUPAC Name6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12
InChIInChI=1S/C20H12ClFN2O2/c21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)14-7-6-12(8-16(14)22)11-4-2-1-3-5-11/h1-10H,(H,23,24)(H,25,26)
InChIKeyFMLQMILUGHYCCC-UHFFFAOYSA-N
XLogP5.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.78
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
2,6-dichloro-1H-benzimidazole-4-carboxylic acid
CID 130870211
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950
4-bromo-6-chloro-2-phenyl-1H-benzimidazole
CID 53438662
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 118484953
6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946985
2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 106861840
2-chloro-4-phenylbenzoic acid
CID 21487426

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 46946580) is 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12.
What is the InChIKey of 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FMLQMILUGHYCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O2/c21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)14-7-6-12(8-16(14)22)11-4-2-1-3-5-11/h1-10H,(H,23,24)(H,25,26).
What are the key properties of 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 366.78 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46946580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).