N,N-dimethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

• ChemBase编号: 174570
• 分子式: C19H21N3O
• 平均质量: 307.38954
• 单一同位素质量: 307.16846231
• SMILES: c1c(ccn2c1nc(c2CC(=O)N(C)C)c1ccc(cc1)C)C
• Canonical SMILES: Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)ccc(c2)C
• InChI: InChI=1S/C19H21N3O/c1-13-5-7-15(8-6-13)19-16(12-18(23)21(3)4)22-10-9-14(2)11-17(22)20-19/h5-11H,12H2,1-4H3
• InChIKey: CZVNHSKGTUTQHR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
• IUPAC传统名: N,N-dimethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
• 别名: N,N,5-Trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-acetamide; 5-Methyl Zolpidem

登记号

• PubChem SID: 164230480
• PubChem CID: 69512457

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.779322
• LogD (pH = 7.4): 3.0135615
• Log P: 3.0176268
• 摩尔折射率: 93.5837 cm^3
• 极化性: 36.375446 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M338600

An impurity of Zolpidem (Z650000).