2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid

C11H7FN2O3 — CID 82475743

IUPAC2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cnc(-c2ccccc2F)[nH]1
InChIInChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)10-13-5-8(14-10)9(15)11(16)17/h1-5H,(H,13,14)(H,16,17)
InChIKeyQDUKLYUIQPIZHR-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.48
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid

2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid (PubChem CID 82475743) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
PubChem CID82475743
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cnc(-c2ccccc2F)[nH]1
InChIInChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)10-13-5-8(14-10)9(15)11(16)17/h1-5H,(H,13,14)(H,16,17)
InChIKeyQDUKLYUIQPIZHR-UHFFFAOYSA-N
XLogP1.48
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82474265
2-[2-(2,4-dimethylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82478341
2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
CID 83888556
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
5-fluoro-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 106516268
N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
CID 10379759
2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
CID 62252489
2-quinolin-4-yl-1H-imidazole-5-carboxylic acid
CID 63867192
2-[[5-(2-fluorophenyl)pyrimidin-2-yl]amino]propanoic acid
CID 116975229
5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 53418236
2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 79717873
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878816

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid (CID 82475743) is 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid is O=C(O)C(=O)c1cnc(-c2ccccc2F)[nH]1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid?
The InChIKey is QDUKLYUIQPIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)10-13-5-8(14-10)9(15)11(16)17/h1-5H,(H,13,14)(H,16,17).
What are the key properties of 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid?
2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid has a molecular weight of 234.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid is sourced from PubChem (CID 82475743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).