2-cyclopentyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-phenylacetamide

• ChemBase编号: 392351
• 分子式: C20H25N3O
• 平均质量: 323.432
• 单一同位素质量: 323.19976244
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(c1ccccc1)C1CCCC1
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C20H25N3O/c24-20(22-18-14-21-17-12-6-7-13-23(17)18)19(16-10-4-5-11-16)15-8-2-1-3-9-15/h1-3,8-9,14,16,19H,4-7,10-13H2,(H,22,24)
• InChIKey: QZMGJLIVOPBLBQ-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 13.609991
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.0565977
• LogD (pH = 7.4): 3.704226
• Log P: 3.7344148
• 摩尔折射率: 95.8086 cm^3
• 极化性: 36.57588 Å^3
• 极化表面积: 46.92 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: 2
• 质子供体: 1
• Log P: 3.65
• LOG S: -4.68
• 极化表面积: 46.92 Å^2
• 可自由旋转的化学键: 4