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

C11H10N2O3 — CID 82472009

IUPAC3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCc1cccc(-n2c(C(=O)O)c[nH]c2=O)c1
InChIInChI=1S/C11H10N2O3/c1-7-3-2-4-8(5-7)13-9(10(14)15)6-12-11(13)16/h2-6H,1H3,(H,12,16)(H,14,15)
InChIKeyUANFSKUMQAPZHW-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.17
Rot. Bonds2

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

3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82472009) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82472009
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCc1cccc(-n2c(C(=O)O)c[nH]c2=O)c1
InChIInChI=1S/C11H10N2O3/c1-7-3-2-4-8(5-7)13-9(10(14)15)6-12-11(13)16/h2-6H,1H3,(H,12,16)(H,14,15)
InChIKeyUANFSKUMQAPZHW-UHFFFAOYSA-N
XLogP1.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475054
3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82488622
N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide
CID 142157764
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
CID 90489789
3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 90489792
3-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]-4-methyl-1H-imidazol-2-one
CID 117370641
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 82472009) is 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is Cc1cccc(-n2c(C(=O)O)c[nH]c2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is UANFSKUMQAPZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-3-2-4-8(5-7)13-9(10(14)15)6-12-11(13)16/h2-6H,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82472009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).