(2R)-2-hydroxy-N-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}propanamide

• ChemBase ID: 565061
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(c(nc([nH]1)CNC(=O)[C@H](O)C)c1ccc(cc1)C)c1ncccc1
• Canonical SMILES: Cc1ccc(cc1)c1nc([nH]c1c1ccccn1)CNC(=O)[C@H](O)C
• InChI: InChI=1S/C19H20N4O2/c1-12-6-8-14(9-7-12)17-18(15-5-3-4-10-20-15)23-16(22-17)11-21-19(25)13(2)24/h3-10,13,24H,11H2,1-2H3,(H,21,25)(H,22,23)/t13-/m1/s1
• InChIKey: NCOZPXROXHZOJK-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-hydroxy-N-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}propanamide
• IUPAC Traditional name: (2R)-2-hydroxy-N-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}propanamide
• Synonyms: (2R)-2-hydroxy-N-{[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.078312
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.8782741
• LogD (pH = 7.4): 1.9055352
• Log P: 1.905975
• Molar Refractivity: 94.7433 cm^3
• Polarizability: 39.13019 Å^3
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.87
• LOG S: -4.1
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 5