1-methyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine

• ChemBase编号: 192396
• 分子式: C16H17N3O3
• 平均质量: 299.32448
• 单一同位素质量: 299.12699142
• SMILES: c1(nc2c(n1C)ccnc2)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1nc2c(n1C)ccnc2
• InChI: InChI=1S/C16H17N3O3/c1-19-12-5-6-17-9-11(12)18-16(19)10-7-13(20-2)15(22-4)14(8-10)21-3/h5-9H,1-4H3
• InChIKey: LUPIYJXFUZXEHE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
• IUPAC传统名: 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine

登记号

• PubChem SID: 164248306
• PubChem CID: 655187

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.8167746
• LogD (pH = 7.4): 1.8172579
• Log P: 1.8172641
• 摩尔折射率: 92.1995 cm^3
• 极化性: 33.339706 Å^3
• 极化表面积: 58.4 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds