1-(2-ethoxyethyl)-4-phenyl-5-(2,4,5-trimethoxyphenyl)-1H-imidazole

• ChemBase编号: 594935
• 分子式: C22H26N2O4
• 平均质量: 382.45284
• 单一同位素质量: 382.18925732
• SMILES: c1(c2c(cc(c(c2)OC)OC)OC)c(ncn1CCOCC)c1ccccc1
• Canonical SMILES: CCOCCn1cnc(c1c1cc(OC)c(cc1OC)OC)c1ccccc1
• InChI: InChI=1S/C22H26N2O4/c1-5-28-12-11-24-15-23-21(16-9-7-6-8-10-16)22(24)17-13-19(26-3)20(27-4)14-18(17)25-2/h6-10,13-15H,5,11-12H2,1-4H3
• InChIKey: ZGCCAYXAKJUDQW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-ethoxyethyl)-4-phenyl-5-(2,4,5-trimethoxyphenyl)-1H-imidazole
• IUPAC传统名: 1-(2-ethoxyethyl)-4-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole
• 别名: 1-(2-ethoxyethyl)-4-phenyl-5-(2,4,5-trimethoxyphenyl)-1H-imidazole

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.354088
• LogD (pH = 7.4): 3.5130076
• Log P: 3.5155728
• 摩尔折射率: 108.8691 cm^3
• 极化性: 44.596973 Å^3
• 极化表面积: 54.74 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: 5
• 质子供体: 0
• Log P: 3.1
• LOG S: -4.64
• 极化表面积: 54.74 Å^2
• 可自由旋转的化学键: 9