HCID21997893

4,5-dichloro-2-methyl-1-(4-(4-oxo-1-piperidyl)butyl]-1H-imidazole

1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]piperidin-4-one

C13H19Cl2N3O304.21 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Cc1nc(Cl)c(Cl)n1CCCCN1CCC(=O)CC1
InChIKey: BBBDYIPPPKVHBX-UHFFFAOYSA-N
分子式: C13H19Cl2N3O
平均分子量: 304.21 g/mol
单同位素质量: 303.0905176

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 38.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 19
形式电荷: 0
复杂度: 306

ALIASES

名称与别名

共 4 条

4,5-dichloro-2-methyl-1-(4-(4-oxo-1-piperidyl)butyl]-1H-imidazole4,5-dichloro-2-methyl-1-[4-(4-oxo-1-piperidyl)butyl]-1H-imidazoleSCHEMBL7959296BBBDYIPPPKVHBX-UHFFFAOYSA-N

REACTIONS

参与反应

3 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05731331

查看

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看

uspto-grants-2001_05 · 10.6084/m9.figshare.5104873.v1 · US06232329B1

查看