methyl({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)[1-(pyridin-2-yl)ethyl]amine

• ChemBase编号: 736947
• 分子式: C22H22N4
• 平均质量: 342.43688
• 单一同位素质量: 342.18444672
• SMILES: c1(n2c(nc1c1ccccc1)cccc2)CN(C(c1ncccc1)C)C
• Canonical SMILES: CN(C(c1ccccn1)C)Cc1c(nc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C22H22N4/c1-17(19-12-6-8-14-23-19)25(2)16-20-22(18-10-4-3-5-11-18)24-21-13-7-9-15-26(20)21/h3-15,17H,16H2,1-2H3
• InChIKey: HUNZIKNYEFDPFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)[1-(pyridin-2-yl)ethyl]amine
• IUPAC传统名: methyl({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)[1-(pyridin-2-yl)ethyl]amine
• 别名: N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-2-ylethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6838523
• LogD (pH = 7.4): 3.418527
• Log P: 3.8110597
• 摩尔折射率: 105.5482 cm^3
• 极化性: 41.932472 Å^3
• 极化表面积: 33.43 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: 3
• 质子供体: 0
• Log P: 3.65
• LOG S: -2.51
• 极化表面积: 33.43 Å^2
• 可自由旋转的化学键: 5