5-ethyl-2-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}pyridine

• ChemBase编号: 595607
• 分子式: C20H19N5O
• 平均质量: 345.39776
• 单一同位素质量: 345.15896025
• SMILES: n1(c(c(nc1)c1ccccc1)c1ncc(cc1)CC)Cc1nnc(o1)C
• Canonical SMILES: CCc1ccc(nc1)c1n(cnc1c1ccccc1)Cc1nnc(o1)C
• InChI: InChI=1S/C20H19N5O/c1-3-15-9-10-17(21-11-15)20-19(16-7-5-4-6-8-16)22-13-25(20)12-18-24-23-14(2)26-18/h4-11,13H,3,12H2,1-2H3
• InChIKey: SYDHONGOBCVOJZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-ethyl-2-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}pyridine
• IUPAC传统名: 5-ethyl-2-{3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylimidazol-4-yl}pyridine
• 别名: 5-ethyl-2-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}pyridine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.6282945
• LogD (pH = 7.4): 2.7059677
• Log P: 2.707066
• 摩尔折射率: 100.1066 cm^3
• 极化性: 40.00686 Å^3
• 极化表面积: 69.63 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: 5
• 质子供体: 0
• Log P: 1.75
• LOG S: -3.21
• 极化表面积: 69.63 Å^2
• 可自由旋转的化学键: 5