2-phenyl-4-<<8-(1-phenyl-1,3,8-triazaspiro<4.5>decan-4-onyl)>methyl>imidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-phenyl-4-<<8-(1-phenyl-1,3,8-triazaspiro<4.5>decan-4-onyl)>methyl>imidazole
• 英文别名: 1-phenyl-8-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
• 化学式: C₂₃H₂₅N₅O
• 分子量: 387.484
• InChiKey: YPHQIENNFMGEMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯甲脒 在 ammonium hydroxide 、 氯化亚砜 、 氯化铵 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 1.17h， 生成 2-phenyl-4-<<8-(1-phenyl-1,3,8-triazaspiro<4.5>decan-4-onyl)>methyl>imidazole
  参考文献：
  名称：

  2-Phenyl-4-(aminomethyl)imidazoles as Potential Antipsychotic Agents. Synthesis and Dopamine D2 Receptor Binding

  摘要：

  A series of 2-phenyl-4-(aminomethyl)imidazoles were designed as conformationally restricted analogs of the dopamine D-2 selective benzamide antipsychotics. The title compounds were synthesized and tested for blockade of[H-3]YM-09151 binding in cloned African green monkey dopamine D-2 receptor preparations. The binding affinity data thus obtained were compared against that of the benzamides and a previously described series of 2-phenyl-5-(aminomethyl)-pyrroles.

  DOI：

  10.1021/jm00012a026