3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid

C14H8ClFN2O3 — CID 107366909

IUPAC3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(=O)n(-c3cc(F)cc(Cl)c3)c12
InChIInChI=1S/C14H8ClFN2O3/c15-7-4-8(16)6-9(5-7)18-12-10(13(19)20)2-1-3-11(12)17-14(18)21/h1-6H,(H,17,21)(H,19,20)
InChIKeySGLLRKCFQVAJMU-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.81
Rot. Bonds2

About 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid

3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid (PubChem CID 107366909) has the molecular formula C14H8ClFN2O3 and a molecular weight of 306.68 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
PubChem CID107366909
Molecular FormulaC14H8ClFN2O3
Molecular Weight306.68 g/mol
Exact Mass306.02
IUPAC Name3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(=O)n(-c3cc(F)cc(Cl)c3)c12
InChIInChI=1S/C14H8ClFN2O3/c15-7-4-8(16)6-9(5-7)18-12-10(13(19)20)2-1-3-11(12)17-14(18)21/h1-6H,(H,17,21)(H,19,20)
InChIKeySGLLRKCFQVAJMU-UHFFFAOYSA-N
XLogP2.81
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444
4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117209251
1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107368789
6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 107371242
3-[(3-bromophenyl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931543
3-(2-methylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 112576480
5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one
CID 117208349
3-(1,1-dioxothian-4-yl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931525
3-(3-methylpentan-3-yl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 106329261
3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 113467250
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
3-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931656

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid (CID 107366909) is 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(=O)n(-c3cc(F)cc(Cl)c3)c12.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The InChIKey is SGLLRKCFQVAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O3/c15-7-4-8(16)6-9(5-7)18-12-10(13(19)20)2-1-3-11(12)17-14(18)21/h1-6H,(H,17,21)(H,19,20).
What are the key properties of 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid has a molecular weight of 306.68 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107366909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).