N-(6-methoxypyridin-3-yl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

• ChemBase ID: 864899
• Molecular Formular: C17H16N4O2
• Molecular Mass: 308.33454
• Monoisotopic Mass: 308.12732577
• SMILES: c1(nc([nH]c1C)c1ccccc1)C(=O)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)c1nc([nH]c1C)c1ccccc1
• InChI: InChI=1S/C17H16N4O2/c1-11-15(21-16(19-11)12-6-4-3-5-7-12)17(22)20-13-8-9-14(23-2)18-10-13/h3-10H,1-2H3,(H,19,21)(H,20,22)
• InChIKey: VFGQNWFGPRSALL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
• IUPAC Traditional name: N-(6-methoxypyridin-3-yl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
• Synonyms: N-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.976419
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7699525
• LogD (pH = 7.4): 2.774867
• Log P: 2.7759564
• Molar Refractivity: 99.0454 cm^3
• Polarizability: 33.411213 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.34
• LOG S: -4.3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 4