N-{4-[1-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl}acetamide

• ChemBase ID: 420931
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: n1(c(ncc1)c1ccc(NC(=O)C)cc1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)n1ccnc1c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C19H19N3O3/c1-13(23)21-15-6-4-14(5-7-15)19-20-10-11-22(19)16-8-9-17(24-2)18(12-16)25-3/h4-12H,1-3H3,(H,21,23)
• InChIKey: YKTWGLSUCVKGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[1-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[1-(3,4-dimethoxyphenyl)imidazol-2-yl]phenyl}acetamide
• Synonyms: N-{4-[1-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.987111
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2477212
• LogD (pH = 7.4): 2.672483
• Log P: 2.6835485
• Molar Refractivity: 116.8974 cm^3
• Polarizability: 37.593754 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.46
• LOG S: -4.62
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5