1H-benzimidazol-2-ylmethyl N-propylcarbamodithioate | 1374787-72-0

• 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: 1H-benzimidazol-2-ylmethyl N-propylcarbamodithioate
• CAS: 1374787-72-0
• 化学式: C₁₂H₁₅N₃S₂
• 分子量: 265.403
• InChiKey: OQOSWQGXSMEZKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻苯二胺 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成 1H-benzimidazol-2-ylmethyl N-propylcarbamodithioate
  参考文献：
  名称：

  Design, synthesis, molecular docking and biological evaluation of new dithiocarbamates substituted benzimidazole and chalcones as possible chemotherapeutic agents

  摘要：

  A series of novel dithiocarbamates with benzimidazole and chalcone scaffold have been designed synthesised and evaluated for their antimitotic activity. Compounds 4c and 9d display the most promising antimitotic activity with IC50 of 1.66 mu M and 1.52 mu M respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.018

文献信息

• Design, synthesis, molecular docking and biological evaluation of new dithiocarbamates substituted benzimidazole and chalcones as possible chemotherapeutic agents
  作者：Keerthana Bacharaju、Swathi Reddy Jambula、Sreekanth Sivan、Saritha JyostnaTangeda、Vijjulatha Manga

  DOI：10.1016/j.bmcl.2012.03.018

  日期：2012.5

  A series of novel dithiocarbamates with benzimidazole and chalcone scaffold have been designed synthesised and evaluated for their antimitotic activity. Compounds 4c and 9d display the most promising antimitotic activity with IC50 of 1.66 mu M and 1.52 mu M respectively. (C) 2012 Elsevier Ltd. All rights reserved.