[6-Chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-imino-2,3-dihydro-benzoimidazol-1-yl]-pyrrolidin-1-yl-methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [6-Chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-imino-2,3-dihydro-benzoimidazol-1-yl]-pyrrolidin-1-yl-methanone
• 英文别名: [6-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-iminobenzimidazol-1-yl]-pyrrolidin-1-ylmethanone
• 化学式: C₁₅H₁₇ClN₆O
• 分子量: 332.793
• InChiKey: ZXOKALBZYAEQES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  75
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(4-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)hydroxylamine hydrochloride 在 三乙胺 作用下， 以 丙酮 、 苯 为溶剂， 反应 3.25h， 生成 [6-Chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-imino-2,3-dihydro-benzoimidazol-1-yl]-pyrrolidin-1-yl-methanone
  参考文献：
  名称：

  Synthesis, Structure, and Biological Activities of SomeN-(4,5-Dihydro-1H-imidazol-2-yl)-l,3-dihydrobenzimidazole Derivatives

  摘要：

  A series of novel N-(4,5-dihydroimidazol-2-yl)-1,3-dihydrobenzimidazole derivatives 2a-d, 3a-d and 4a-p were prepared and their structure was determined by IR and NMR spectroscopic data as well as X-ray analysis of carbonitrile 2a. The compounds were studied as potential inhibitors of the human blood platelet aggregation induced by adrenaline or ADP. Compounds of type 3 proved efficacious for the reduction of arterial blood pressure upon intravenous administration to normotensive rats.

  DOI：

  10.1002/(sici)1521-4184(199807)331:7/8<241::aid-ardp241>3.0.co;2-6