2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid

C11H10F2N2O3 — CID 110491281

IUPAC2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C11H10F2N2O3/c1-2-7(10(16)17)15-9-6(14-11(15)18)4-3-5(12)8(9)13/h3-4,7H,2H2,1H3,(H,14,18)(H,16,17)
InChIKeyYZOOEZVHFVWRQF-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.64
Rot. Bonds3

About 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid

2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid (PubChem CID 110491281) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid
PubChem CID110491281
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C11H10F2N2O3/c1-2-7(10(16)17)15-9-6(14-11(15)18)4-3-5(12)8(9)13/h3-4,7H,2H2,1H3,(H,14,18)(H,16,17)
InChIKeyYZOOEZVHFVWRQF-UHFFFAOYSA-N
XLogP1.64
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
CID 83418165
4,5-difluoro-3-methyl-1H-benzimidazol-2-one
CID 83415019
methyl 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)butanoate
CID 110491164
3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491336
3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491335
3-(2,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491339
3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491340
3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
CID 83415043
4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one
CID 110491289
3-(1-ethylsulfanylpropan-2-yl)-4,5-difluoro-1H-benzimidazole-2-thione
CID 113499197
4-fluoro-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carbonitrile
CID 134444143
3-(2-methylpentan-3-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784325

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid?
The IUPAC name of 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid (CID 110491281) is 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid?
The canonical SMILES for 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid is CCC(C(=O)O)n1c(=O)[nH]c2ccc(F)c(F)c21.
What is the InChIKey of 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid?
The InChIKey is YZOOEZVHFVWRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-2-7(10(16)17)15-9-6(14-11(15)18)4-3-5(12)8(9)13/h3-4,7H,2H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid?
2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid has a molecular weight of 256.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 110491281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).