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

• ChemBase ID: 681564
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(n(c2cc(NC(=O)C)ccc2)ccn1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)c1nccn1c1cccc(c1)NC(=O)C
• InChI: InChI=1S/C19H19N3O3/c1-13(23)21-15-5-4-6-16(12-15)22-10-9-20-19(22)14-7-8-17(24-2)18(11-14)25-3/h4-12H,1-3H3,(H,21,23)
• InChIKey: BXFOYQGVGLPDRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: 2.6835485
• Molar Refractivity: 116.8974 cm^3
• Polarizability: 37.59551 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.189657
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.252313
• LogD (pH = 7.4): 2.6726975

供应商提供(Chembridge)

• Log P: 3.53
• LOG S: -4.67
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1