[1-(3-{1-[2-(1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}phenyl)ethyl]dimethylamine

• ChemBase编号: 655025
• 分子式: C24H27N5
• 平均质量: 385.50468
• 单一同位素质量: 385.22664589
• SMILES: n1c(c(n(c1)CCn1cncc1)c1cc(C(N(C)C)C)ccc1)c1ccccc1
• Canonical SMILES: CN(C(c1cccc(c1)c1n(cnc1c1ccccc1)CCn1cncc1)C)C
• InChI: InChI=1S/C24H27N5/c1-19(27(2)3)21-10-7-11-22(16-21)24-23(20-8-5-4-6-9-20)26-18-29(24)15-14-28-13-12-25-17-28/h4-13,16-19H,14-15H2,1-3H3
• InChIKey: UUEDBQPIPHCJKR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(3-{1-[2-(1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}phenyl)ethyl]dimethylamine
• IUPAC传统名: [1-(3-{3-[2-(imidazol-1-yl)ethyl]-5-phenylimidazol-4-yl}phenyl)ethyl]dimethylamine
• 别名: 1-(3-{1-[2-(1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}phenyl)-N,N-dimethylethanamine

理论计算性质

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.42
• LOG S: -3.92
• 极化表面积: 38.88 Å^2
• 可自由旋转的化学键: 7

JChem

• 质子供体: 0
• LogD (pH = 5.5): -0.1517447
• LogD (pH = 7.4): 1.932316
• Log P: 3.9436526
• 摩尔折射率: 118.5894 cm^3
• 极化性: 48.010002 Å^3
• 极化表面积: 38.88 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• 质子受体: 3