4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid

C11H9FN2O3 — CID 117225051

IUPAC4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
SMILESCn1c(-c2ccccc2F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C11H9FN2O3/c1-14-9(6-4-2-3-5-7(6)12)8(10(15)16)13-11(14)17/h2-5H,1H3,(H,13,17)(H,15,16)
InChIKeyKWIYIGVYDSWXIZ-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.22
Rot. Bonds2

About 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid

4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid (PubChem CID 117225051) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
PubChem CID117225051
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
SMILESCn1c(-c2ccccc2F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C11H9FN2O3/c1-14-9(6-4-2-3-5-7(6)12)8(10(15)16)13-11(14)17/h2-5H,1H3,(H,13,17)(H,15,16)
InChIKeyKWIYIGVYDSWXIZ-UHFFFAOYSA-N
XLogP1.22
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid
CID 117225050
methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225231
2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid
CID 19005913
5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
CID 105494099
3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 84687356
2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid
CID 24998965
3-(2-fluorophenyl)-1H-pyrrole-2,4-dicarboxylic acid
CID 12665464
5-(2-fluorophenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxylic acid
CID 67012945
1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
CID 13381171
3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82079954
5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 62268890
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid (CID 117225051) is 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid is Cn1c(-c2ccccc2F)c(C(=O)O)[nH]c1=O.
What is the InChIKey of 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid?
The InChIKey is KWIYIGVYDSWXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-14-9(6-4-2-3-5-7(6)12)8(10(15)16)13-11(14)17/h2-5H,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid?
4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 117225051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).