2-benzyl-4-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)morpholine

• ChemBase ID: 498961
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: c1(nc([nH]c1C)c1ccccc1)C(=O)N1CC(OCC1)Cc1ccccc1
• Canonical SMILES: Cc1[nH]c(nc1C(=O)N1CCOC(C1)Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H23N3O2/c1-16-20(24-21(23-16)18-10-6-3-7-11-18)22(26)25-12-13-27-19(15-25)14-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,23,24)
• InChIKey: MTARTRJWVZOIBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-4-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)morpholine
• IUPAC Traditional name: 2-benzyl-4-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)morpholine
• Synonyms: 2-benzyl-4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.564169
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6111658
• LogD (pH = 7.4): 3.6170115
• Log P: 3.617351
• Molar Refractivity: 115.8762 cm^3
• Polarizability: 40.783043 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.49
• LOG S: -5.83
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 4