1-methyl-2-amino-1H-benzimidazole | 144836-38-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-methyl-2-amino-1H-benzimidazole
• 英文别名: N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1H-benzimidazol-2-amine；N-(1,3-benzodioxol-5-ylmethyl)-1-methylbenzimidazol-2-amine
• CAS: 144836-38-4
• 化学式: C₁₆H₁₅N₃O₂
• 分子量: 281.314
• InChiKey: DKISRRRHDPIJOI-UHFFFAOYSA-N

物化性质

• 沸点：
  481.9±55.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  48.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨-1-甲基苯咪唑 在 sodium tetrahydroborate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 28.0h， 生成 1-methyl-2-amino-1H-benzimidazole
  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

文献信息

• 1-substituted 2-benzylaminobenzimidazole derivatives: compounds with H1-antihistaminic activity
  作者：A Da Settimo、G Primofiore、F Da Settimo、L Calzolari、P Cazzulani、A Passoni、O Tofanetti

  DOI：10.1016/0223-5234(92)90153-r

  日期：1992.6

  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.