2-(1-Ethyl-2-benzimidazolyl)aminobenzimidazol | 57262-35-8

• 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: 2-(1-Ethyl-2-benzimidazolyl)aminobenzimidazol
• 英文别名: (1H-benzoimidazol-2-yl)-(1-ethyl-1H-benzoimidazol-2-yl)-amine；N-(1H-benzimidazol-2-yl)-1-ethylbenzimidazol-2-amine
• CAS: 57262-35-8
• 化学式: C₁₆H₁₅N₅
• 分子量: 277.329
• InChiKey: WTQYVFNCJJDTFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  58.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1H-苯并咪唑-2-磺酸 、 1-乙基-1H-苯并咪唑-2-胺 反应 0.5h， 以20%的产率得到2-(1-Ethyl-2-benzimidazolyl)aminobenzimidazol
  参考文献：
  名称：

  Synthesis and antitrichinellosis activity of some bis(benzimidazol-2-yl)amines

  摘要：

  Novel bis(benzimidazol-2-yl)a mines were synthesized using two methods and studied for antitrichinellosis activity. DFT calculations were performed in order to determine the geometry of molecules. All derivatives of 2-aminobenzimidazole exhibited higher activity in vitro against Trichinella spiralis larvae in regard to the activity of albendazole, moreover compounds 4f-i manifested antitrichinellosis effect, which surpassed five times the activity of albendazole. The in vivo screening of intestinal phase of the T spiralis revealed 100% effectiveness of compounds 4g-i at oral dosages of 50 and 100 mg/kg mw, while albendazole possesses 100% efficacy only at a dose of 100 mg/kg mw. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.06.017

文献信息

• SIMONOV A. M.; KOMISSAROV V. N., XIMIYA GETEROTSIKL. SOEDIN. <KGSS-AQ>, 1975, HO 6, 826-828
  作者：SIMONOV A. M.、 KOMISSAROV V. N.

  DOI：——

  日期：——
• Synthesis and antitrichinellosis activity of some bis(benzimidazol-2-yl)amines
  作者：Anelia Ts. Mavrova、Pavletta Denkova、Yordan A. Tsenov、Kameliya K. Anichina、Dimitar I. Vutchev

  DOI：10.1016/j.bmc.2007.06.017

  日期：2007.9

  Novel bis(benzimidazol-2-yl)a mines were synthesized using two methods and studied for antitrichinellosis activity. DFT calculations were performed in order to determine the geometry of molecules. All derivatives of 2-aminobenzimidazole exhibited higher activity in vitro against Trichinella spiralis larvae in regard to the activity of albendazole, moreover compounds 4f-i manifested antitrichinellosis effect, which surpassed five times the activity of albendazole. The in vivo screening of intestinal phase of the T spiralis revealed 100% effectiveness of compounds 4g-i at oral dosages of 50 and 100 mg/kg mw, while albendazole possesses 100% efficacy only at a dose of 100 mg/kg mw. (c) 2007 Elsevier Ltd. All rights reserved.