N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase编号: 737591
• 分子式: C15H17N5O3
• 平均质量: 315.32718
• 单一同位素质量: 315.13313943
• SMILES: c12n(c(cc(c2)C)C)cc(n1)CNC(=O)CC1C(=O)NC(=O)N1
• Canonical SMILES: Cc1cc(C)cc2n1cc(n2)CNC(=O)CC1NC(=O)NC1=O
• InChI: InChI=1S/C15H17N5O3/c1-8-3-9(2)20-7-10(17-12(20)4-8)6-16-13(21)5-11-14(22)19-15(23)18-11/h3-4,7,11H,5-6H2,1-2H3,(H,16,21)(H2,18,19,22,23)
• InChIKey: JWDYALTVMXDFCJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC传统名: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• 别名: N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

理论计算性质

JChem

• Acid pKa: 9.62539
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -1.3881638
• LogD (pH = 7.4): -0.8206089
• Log P: -0.8013033
• 摩尔折射率: 82.454 cm^3
• 极化性: 30.848047 Å^3
• 极化表面积: 104.6 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 3
• Log P: -0.74
• LOG S: -2.18
• 极化表面积: 104.6 Å^2
• 可自由旋转的化学键: 4