[3-(5-{4-[1-(dimethylamino)ethyl]phenyl}-4-phenyl-1H-imidazol-1-yl)propyl]dimethylamine

• ChemBase编号: 557064
• 分子式: C24H32N4
• 平均质量: 376.53768
• 单一同位素质量: 376.26269704
• SMILES: n1c(c(n(c1)CCCN(C)C)c1ccc(C(N(C)C)C)cc1)c1ccccc1
• Canonical SMILES: CN(CCCn1cnc(c1c1ccc(cc1)C(N(C)C)C)c1ccccc1)C
• InChI: InChI=1S/C24H32N4/c1-19(27(4)5)20-12-14-22(15-13-20)24-23(21-10-7-6-8-11-21)25-18-28(24)17-9-16-26(2)3/h6-8,10-15,18-19H,9,16-17H2,1-5H3
• InChIKey: OKFDFZFTRYMFMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(5-{4-[1-(dimethylamino)ethyl]phenyl}-4-phenyl-1H-imidazol-1-yl)propyl]dimethylamine
• IUPAC传统名: [3-(5-{4-[1-(dimethylamino)ethyl]phenyl}-4-phenylimidazol-1-yl)propyl]dimethylamine
• 别名: 3-(5-{4-[1-(dimethylamino)ethyl]phenyl}-4-phenyl-1H-imidazol-1-yl)-N,N-dimethylpropan-1-amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.7738566
• LogD (pH = 7.4): 0.16569418
• Log P: 4.11533
• 摩尔折射率: 119.5334 cm^3
• 极化性: 48.81315 Å^3
• 极化表面积: 24.3 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 4.1
• LOG S: -4.44
• 极化表面积: 24.3 Å^2
• 可自由旋转的化学键: 8