4-methyl-1-(triphenylmethyl)-1H-imidazole

• ChemBase编号: 798382
• 分子式: C23H20N2
• 平均质量: 324.4183
• 单一同位素质量: 324.16264865
• SMILES: n1(cnc(c1)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H20N2/c1-19-17-25(18-24-19)23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
• InChIKey: GDROHFZOCLUMKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-1-(triphenylmethyl)-1H-imidazole
• IUPAC传统名: 4-methyl-1-(triphenylmethyl)imidazole
• 别名: 1-triphenylmethyl-4-methylimidazole

登记号

• CAS号: 82594-80-7

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.605708
• LogD (pH = 7.4): 5.3215013
• Log P: 5.366777
• 摩尔折射率: 103.5512 cm^3
• 极化性: 39.539623 Å^3
• 极化表面积: 17.82 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 97%