N,N-dimethyl-2-[5-(6-methylpyridin-2-yl)-4-phenyl-1H-imidazol-1-yl]-2-phenylacetamide

• ChemBase编号: 742606
• 分子式: C25H24N4O
• 平均质量: 396.48426
• 单一同位素质量: 396.19501141
• SMILES: n1(c(c(nc1)c1ccccc1)c1nc(ccc1)C)C(C(=O)N(C)C)c1ccccc1
• Canonical SMILES: Cc1cccc(n1)c1n(cnc1c1ccccc1)C(C(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C25H24N4O/c1-18-11-10-16-21(27-18)24-22(19-12-6-4-7-13-19)26-17-29(24)23(25(30)28(2)3)20-14-8-5-9-15-20/h4-17,23H,1-3H3
• InChIKey: SLGNTMODIBDERO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-[5-(6-methylpyridin-2-yl)-4-phenyl-1H-imidazol-1-yl]-2-phenylacetamide
• IUPAC传统名: N,N-dimethyl-2-[5-(6-methylpyridin-2-yl)-4-phenylimidazol-1-yl]-2-phenylacetamide
• 别名: N,N-dimethyl-2-[5-(6-methylpyridin-2-yl)-4-phenyl-1H-imidazol-1-yl]-2-phenylacetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.952671
• LogD (pH = 7.4): 4.0320086
• Log P: 4.0331244
• 摩尔折射率: 117.8081 cm^3
• 极化性: 48.192432 Å^3
• 极化表面积: 51.02 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.85
• LOG S: -5.38
• 极化表面积: 51.02 Å^2
• 可自由旋转的化学键: 5