5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

C12H13N3O3 — CID 82479729

IUPAC5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCCc1ccc(-n2c(C(=O)O)c(N)[nH]c2=O)cc1
InChIInChI=1S/C12H13N3O3/c1-2-7-3-5-8(6-4-7)15-9(11(16)17)10(13)14-12(15)18/h3-6H,2,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyNVRGOFIHTDZTNK-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.01
Rot. Bonds3

About 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82479729) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82479729
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCCc1ccc(-n2c(C(=O)O)c(N)[nH]c2=O)cc1
InChIInChI=1S/C12H13N3O3/c1-2-7-3-5-8(6-4-7)15-9(11(16)17)10(13)14-12(15)18/h3-6H,2,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyNVRGOFIHTDZTNK-UHFFFAOYSA-N
XLogP1.01
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82479727
3-(4-ethylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 53334943
5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
CID 82470977
1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82123881
2-(4-ethylphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
CID 84818326
2-amino-4-[4-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406962
N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide
CID 135650695
5-ethyl-3-phenyl-1H-benzimidazol-2-one
CID 118974801
5-amino-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817597
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 135469987
4-(2,7-diethylcarbazol-9-yl)benzoic acid
CID 139957754

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 82479729) is 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is CCc1ccc(-n2c(C(=O)O)c(N)[nH]c2=O)cc1.
What is the InChIKey of 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is NVRGOFIHTDZTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-7-3-5-8(6-4-7)15-9(11(16)17)10(13)14-12(15)18/h3-6H,2,13H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82479729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).