dimethyl({3-[5-(1-methyl-1H-indol-4-yl)-4-phenyl-1H-imidazol-1-yl]propyl})amine

• ChemBase编号: 767742
• 分子式: C23H26N4
• 平均质量: 358.47934
• 单一同位素质量: 358.21574685
• SMILES: c1(c(ncn1CCCN(C)C)c1ccccc1)c1c2ccn(c2ccc1)C
• Canonical SMILES: CN(CCCn1cnc(c1c1cccc2c1ccn2C)c1ccccc1)C
• InChI: InChI=1S/C23H26N4/c1-25(2)14-8-15-27-17-24-22(18-9-5-4-6-10-18)23(27)20-11-7-12-21-19(20)13-16-26(21)3/h4-7,9-13,16-17H,8,14-15H2,1-3H3
• InChIKey: MEWQJWNHGOIBKH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({3-[5-(1-methyl-1H-indol-4-yl)-4-phenyl-1H-imidazol-1-yl]propyl})amine
• IUPAC传统名: dimethyl({3-[5-(1-methylindol-4-yl)-4-phenylimidazol-1-yl]propyl})amine
• 别名: N,N-dimethyl-3-[5-(1-methyl-1H-indol-4-yl)-4-phenyl-1H-imidazol-1-yl]propan-1-amine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.45287672
• LogD (pH = 7.4): 1.835218
• Log P: 4.0797963
• 摩尔折射率: 112.5551 cm^3
• 极化性: 46.951862 Å^3
• 极化表面积: 25.99 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: 2
• 质子供体: 0
• Log P: 5.42
• LOG S: -5.43
• 极化表面积: 25.99 Å^2
• 可自由旋转的化学键: 6