2-(2,5-dioxoimidazolidin-1-yl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase编号: 848338
• 分子式: C12H15N5O3
• 平均质量: 277.2792
• 单一同位素质量: 277.11748937
• SMILES: N1(C(=O)NCC1=O)CC(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CN1C(=O)CNC1=O
• InChI: InChI=1S/C12H15N5O3/c18-10(7-17-11(19)6-14-12(17)20)15-9-5-13-8-3-1-2-4-16(8)9/h5H,1-4,6-7H2,(H,14,20)(H,15,18)
• InChIKey: UGMBSMKONRGEPV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dioxoimidazolidin-1-yl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC传统名: 2-(2,5-dioxoimidazolidin-1-yl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• 别名: 2-(2,5-dioxoimidazolidin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 11.55729
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -1.9991188
• LogD (pH = 7.4): -1.354857
• Log P: -1.3251258
• 摩尔折射率: 69.3465 cm^3
• 极化性: 25.879623 Å^3
• 极化表面积: 96.33 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 2
• Log P: -1.09
• LOG S: -1.6
• 极化表面积: 96.33 Å^2
• 可自由旋转的化学键: 3