| 144836-21-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 144836-21-5
• 化学式: C₂₂H₁₈ClN₃O₂
• 分子量: 391.857
• InChiKey: ZTIZJRJOZGAXON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  59.64
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以71%的产率得到4-[[[1-[(4-Chlorophenyl)methyl]benzimidazol-2-yl]amino]methyl]-2-methoxyphenol
  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：

  1-(4-氯苄基)-1H-苯并咪唑-2-甲胺 、 香草醛 以 甲苯 为溶剂， 反应 15.0h， 以63%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