N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide

C12H14N4O — CID 158458619

IUPACN-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide
SMILESCc1cn(C)c(C(=O)Nc2ccc(N)cc2)n1
InChIInChI=1S/C12H14N4O/c1-8-7-16(2)11(14-8)12(17)15-10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyTWAFHYVUZSRTBZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.56
Rot. Bonds2

About N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide

N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide (PubChem CID 158458619) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide
PubChem CID158458619
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide
SMILESCc1cn(C)c(C(=O)Nc2ccc(N)cc2)n1
InChIInChI=1S/C12H14N4O/c1-8-7-16(2)11(14-8)12(17)15-10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyTWAFHYVUZSRTBZ-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(4-amino-1-methylimidazole-2-carbonyl)amino]benzoate;hydrochloride
CID 135351170
methyl 3-[[5-[(1,4-dimethylimidazole-2-carbonyl)amino]-1-benzofuran-2-carbonyl]amino]propanoate
CID 157168866
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335876
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
methyl 4-[[4-[2-[4-(4-aminophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 160927737
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
N-(4-aminophenyl)-1,3-oxazole-4-carboxamide
CID 22612942

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide (CID 158458619) is N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide is Cc1cn(C)c(C(=O)Nc2ccc(N)cc2)n1.
What is the InChIKey of N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide?
The InChIKey is TWAFHYVUZSRTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-7-16(2)11(14-8)12(17)15-10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,15,17).
What are the key properties of N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide?
N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 158458619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).