({5-[1-(2-ethoxyethyl)-4-phenyl-1H-imidazol-5-yl]-2-methoxyphenyl}methyl)dimethylamine

• ChemBase编号: 775172
• 分子式: C23H29N3O2
• 平均质量: 379.49526
• 单一同位素质量: 379.22597718
• SMILES: n1c(c(n(c1)CCOCC)c1cc(c(cc1)OC)CN(C)C)c1ccccc1
• Canonical SMILES: CCOCCn1cnc(c1c1ccc(c(c1)CN(C)C)OC)c1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-5-28-14-13-26-17-24-22(18-9-7-6-8-10-18)23(26)19-11-12-21(27-4)20(15-19)16-25(2)3/h6-12,15,17H,5,13-14,16H2,1-4H3
• InChIKey: ZQYNJGCJOYWTOI-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.9309118
• LogD (pH = 7.4): 2.9373825
• Log P: 3.772312
• 摩尔折射率: 114.4854 cm^3
• 极化性: 46.68296 Å^3
• 极化表面积: 39.52 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.75
• LOG S: -4.16
• 极化表面积: 39.52 Å^2
• 可自由旋转的化学键: 9