(2R)-2-[4-phenyl-5-(2,3,4-trimethoxyphenyl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 546182
• Molecular Formular: C21H23N3O4
• Molecular Mass: 381.42502
• Monoisotopic Mass: 381.16885623
• SMILES: c1(n(cnc1c1ccccc1)[C@@H](C(=O)N)C)c1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(OC)c(OC)ccc1c1c(ncn1[C@@H](C(=O)N)C)c1ccccc1
• InChI: InChI=1S/C21H23N3O4/c1-13(21(22)25)24-12-23-17(14-8-6-5-7-9-14)18(24)15-10-11-16(26-2)20(28-4)19(15)27-3/h5-13H,1-4H3,(H2,22,25)/t13-/m1/s1
• InChIKey: ZFKUKEJUVGBHFE-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[4-phenyl-5-(2,3,4-trimethoxyphenyl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: (2R)-2-[4-phenyl-5-(2,3,4-trimethoxyphenyl)imidazol-1-yl]propanamide
• Synonyms: (2R)-2-[4-phenyl-5-(2,3,4-trimethoxyphenyl)-1H-imidazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.6317835
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.304122
• LogD (pH = 7.4): 2.443366
• Log P: 2.4455452
• Molar Refractivity: 105.4777 cm^3
• Polarizability: 43.33419 Å^3
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.39
• LOG S: -3.17
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 7