1-(4-fluorophenyl)-2-piperidin-4-ylbenzimidazole | 1381841-37-7

• 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: 1-(4-fluorophenyl)-2-piperidin-4-ylbenzimidazole
• CAS: 1381841-37-7
• 化学式: C₁₈H₁₈FN₃
• 分子量: 295.359
• InChiKey: ARKULMJQGXUCBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.63
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  29.85
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  4-哌啶甲酸 在 氯甲酸乙酯 、 溶剂黄146 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 1-(4-fluorophenyl)-2-piperidin-4-ylbenzimidazole
  参考文献：
  名称：

  Synthesis, biological evaluation and SAR studies of benzimidazole derivatives as H1-antihistamine agents

  摘要：

  A series of benzimidazole derivatives have been designed, synthesized and evaluated for H-1 antihistamine activity. Six compounds have showed potent antihistamine H-1 activity. The primary SAR analysis indicated that benzyl or benzylidinyl substituted on the exo-nitrogen atom and C2 of the benzimidazole were significant. Further experiments indicated that compound 17d displayed excellent activity to reduce mast cell degranulation, moderate anti-PAF activity and decreased potency on hERG compared to astermizole. Hence compound 17d could serve as anti-allergic agent for further development. (C) 2012 Da Li Yin. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.04.020