N-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide

• ChemBase ID: 434093
• Molecular Formular: C20H18N6O2
• Molecular Mass: 374.39592
• Monoisotopic Mass: 374.14912385
• SMILES: c1(c(nc([nH]1)CNC(=O)c1[nH]c(=O)[nH]c1)c1ccc(cc1)C)c1ncccc1
• Canonical SMILES: Cc1ccc(cc1)c1nc([nH]c1c1ccccn1)CNC(=O)c1c[nH]c(=O)[nH]1
• InChI: InChI=1S/C20H18N6O2/c1-12-5-7-13(8-6-12)17-18(14-4-2-3-9-21-14)26-16(25-17)11-22-19(27)15-10-23-20(28)24-15/h2-10H,11H2,1H3,(H,22,27)(H,25,26)(H2,23,24,28)
• InChIKey: VIFFUWDULOKCRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
• IUPAC Traditional name: N-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}-2-oxo-1,3-dihydroimidazole-4-carboxamide
• Synonyms: N-{[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.124482
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 1.609772
• LogD (pH = 7.4): 1.6297
• Log P: 1.6375558
• Molar Refractivity: 103.5534 cm^3
• Polarizability: 41.69988 Å^3
• Polar Surface Area: 111.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: 3.49
• LOG S: -4.91
• Polar Surface Area: 119.32 Å^2
• Rotatable Bonds: 5