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

C12H12N2O3 — CID 117225050

IUPAC3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid
SMILESCc1ccccc1-c1c(C(=O)O)[nH]c(=O)n1C
InChIInChI=1S/C12H12N2O3/c1-7-5-3-4-6-8(7)10-9(11(15)16)13-12(17)14(10)2/h3-6H,1-2H3,(H,13,17)(H,15,16)
InChIKeyLJYFPKGTWNLTRH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.39
Rot. Bonds2

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

3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid (PubChem CID 117225050) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid
PubChem CID117225050
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid
SMILESCc1ccccc1-c1c(C(=O)O)[nH]c(=O)n1C
InChIInChI=1S/C12H12N2O3/c1-7-5-3-4-6-8(7)10-9(11(15)16)13-12(17)14(10)2/h3-6H,1-2H3,(H,13,17)(H,15,16)
InChIKeyLJYFPKGTWNLTRH-UHFFFAOYSA-N
XLogP1.39
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
CID 117225051
methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225231
5-(2-methylphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 82389747
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid
CID 24998965
4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973
3-methyl-2-oxo-4-propan-2-yl-1H-imidazole-5-carboxylic acid
CID 117225039
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959
4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
CID 117225077
1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone
CID 134967681
3,7-dimethyl-1H-indole-2-carboxylic acid;ethane
CID 145321259
3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid
CID 129207912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid?
The IUPAC name of 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid (CID 117225050) is 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid is Cc1ccccc1-c1c(C(=O)O)[nH]c(=O)n1C.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid?
The InChIKey is LJYFPKGTWNLTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-5-3-4-6-8(7)10-9(11(15)16)13-12(17)14(10)2/h3-6H,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid?
3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 117225050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).