4-methyl-2-(1-isopropyl-1H-benzoimidazol-2-yl)-thiazole-5-carboxylic acid ethyl ester | 1263903-01-0

• 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: 4-methyl-2-(1-isopropyl-1H-benzoimidazol-2-yl)-thiazole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 4-methyl-2-(1-propan-2-ylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
• CAS: 1263903-01-0
• 化学式: C₁₇H₁₉N₃O₂S
• 分子量: 329.423
• InChiKey: FQCNMIDILQNUMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  85.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-isopropyl-1H-benzoimidazole-2-carbothioic acid amide 、 2-氯乙酰乙酸乙酯 以 乙醇 为溶剂， 反应 8.0h， 以42%的产率得到4-methyl-2-(1-isopropyl-1H-benzoimidazol-2-yl)-thiazole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and in vitro cytotoxic evaluation of some thiazolylbenzimidazole derivatives

  摘要：

  A novel kind of thiazolylbenzimidazole derivatives were designed and synthesized and evaluated for their antitumor activity against SMMC-7721 and A549 cell lines. Most compounds showed good antitumor activities, and compound lib displayed remarkable in vitro anticancer activity comparable to taxol. The preliminary structure-activity relationship of these benzimidazole derivatives was discussed based on the experimental data obtained. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.014