N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide

C12H12ClN3O — CID 110859280

IUPACN-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cncn2C)cc1Cl
InChIInChI=1S/C12H12ClN3O/c1-8-3-4-9(5-10(8)13)15-12(17)11-6-14-7-16(11)2/h3-7H,1-2H3,(H,15,17)
InChIKeyYIGOHIGHQNLRAF-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.63
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide (PubChem CID 110859280) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
PubChem CID110859280
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cncn2C)cc1Cl
InChIInChI=1S/C12H12ClN3O/c1-8-3-4-9(5-10(8)13)15-12(17)11-6-14-7-16(11)2/h3-7H,1-2H3,(H,15,17)
InChIKeyYIGOHIGHQNLRAF-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-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

2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510456
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
5-[(3-methylimidazole-4-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 103510438
N-(1,3-benzodioxol-5-yl)-3-methylimidazole-4-carboxamide
CID 110863230
3-[5-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490113
N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103511331
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103510258
N-(3-chloro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63865104
3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide (CID 110859280) is N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide is Cc1ccc(NC(=O)c2cncn2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide?
The InChIKey is YIGOHIGHQNLRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-3-4-9(5-10(8)13)15-12(17)11-6-14-7-16(11)2/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 110859280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).