5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

C12H13N3O3 — CID 82479727

IUPAC5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCc1cccc(C)c1-n1c(C(=O)O)c(N)[nH]c1=O
InChIInChI=1S/C12H13N3O3/c1-6-4-3-5-7(2)8(6)15-9(11(16)17)10(13)14-12(15)18/h3-5H,13H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyWFXQIAFHIVGJMU-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.06
Rot. Bonds2

About 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82479727) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82479727
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCc1cccc(C)c1-n1c(C(=O)O)c(N)[nH]c1=O
InChIInChI=1S/C12H13N3O3/c1-6-4-3-5-7(2)8(6)15-9(11(16)17)10(13)14-12(15)18/h3-5H,13H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyWFXQIAFHIVGJMU-UHFFFAOYSA-N
XLogP1.06
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82479729
3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475054
5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
CID 82470977
1-(2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28541722
1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541232
5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid
CID 82487412
3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491340
5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 98014619
3-amino-4-(2,6-dimethylphenyl)-1H-1,2,4-triazole-5-thione
CID 64571738
3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one
CID 143725239
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 82479727) is 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is Cc1cccc(C)c1-n1c(C(=O)O)c(N)[nH]c1=O.
What is the InChIKey of 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is WFXQIAFHIVGJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-6-4-3-5-7(2)8(6)15-9(11(16)17)10(13)14-12(15)18/h3-5H,13H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82479727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).