| 144836-23-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 144836-23-7
• 化学式: C₂₄H₂₃N₃O₃
• 分子量: 401.465
• InChiKey: GBBVZLGCQFMURO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  30.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  57.87
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以59%的产率得到1-benzyl-N-(3,4,5-trimethoxybenzyl)-1H-benzimidazol-2-amine
  参考文献：
  名称：

  1-substituted 2-benzylaminobenzimidazole derivatives: compounds with H1-antihistaminic activity

  摘要：

  The preparation of 1-substituted 2-benzylaminobenzimidazole derivatives 13-24 is described. Although these compounds have a different structure from the general structure I of antihistamines, they showed some antihistaminic activity (pA2:5-7) when tested in vitro on guinea pig ileum. The introduction of an additional basic centre as in the Mannich bases 25-27 did not cause any improvement of activity. All the compounds tested proved to be inactive in in vivo induced passive cutaneous anaphylaxis (PCA) and cutaneous vasopermeability in rats.

  DOI：

  10.1016/0223-5234(92)90153-r
• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲醛 、 2-氨基-1-苄基苯并咪唑 以 甲苯 为溶剂， 反应 72.0h， 以53%的产率得到
  参考文献：
  名称：

  1-substituted 2-benzylaminobenzimidazole derivatives: compounds with H1-antihistaminic activity

  摘要：

  The preparation of 1-substituted 2-benzylaminobenzimidazole derivatives 13-24 is described. Although these compounds have a different structure from the general structure I of antihistamines, they showed some antihistaminic activity (pA2:5-7) when tested in vitro on guinea pig ileum. The introduction of an additional basic centre as in the Mannich bases 25-27 did not cause any improvement of activity. All the compounds tested proved to be inactive in in vivo induced passive cutaneous anaphylaxis (PCA) and cutaneous vasopermeability in rats.

  DOI：

  10.1016/0223-5234(92)90153-r