3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid

C14H8ClFN2O2 — CID 82790998

IUPAC3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C14H8ClFN2O2/c15-9-2-4-12(10(16)6-9)18-7-17-11-3-1-8(14(19)20)5-13(11)18/h1-7H,(H,19,20)
InChIKeyZLUQUTKMHMWTHY-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.52
Rot. Bonds2

About 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid

3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 82790998) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID82790998
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C14H8ClFN2O2/c15-9-2-4-12(10(16)6-9)18-7-17-11-3-1-8(14(19)20)5-13(11)18/h1-7H,(H,19,20)
InChIKeyZLUQUTKMHMWTHY-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
CID 82774507
3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 104727768
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
CID 82790901
3-(4-bromo-2-cyanophenyl)benzimidazole-5-carboxylic acid
CID 82778261
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
2-(benzimidazol-1-yl)-4-chlorobenzoic acid
CID 63082519
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43566681
3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 166873730

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid (CID 82790998) is 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(-c3ccc(Cl)cc3F)c2c1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is ZLUQUTKMHMWTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-9-2-4-12(10(16)6-9)18-7-17-11-3-1-8(14(19)20)5-13(11)18/h1-7H,(H,19,20).
What are the key properties of 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid?
3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 290.68 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).