N-[1-[[3,5-bis[(2-acetamidobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-yl]acetamide | 1309136-55-7

• 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: N-[1-[[3,5-bis[(2-acetamidobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-yl]acetamide
• CAS: 1309136-55-7
• 化学式: C₄₂H₄₅N₉O₃
• 分子量: 723.878
• InChiKey: MMLDOWHKLHKWBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[[3,5-Bis[(2-aminobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-amine 、 乙酸酐 反应 5.0h， 以18%的产率得到N-[1-[[3,5-bis[(2-acetamidobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-yl]acetamide
  参考文献：
  名称：

  Chromogenic and Fluorescent Recognition of Iodide with a Benzimidazole-Based Tripodal Receptor

  摘要：

  A novel 1,3,5-substituted triethylbenzene derivative with a 2-aminobenzimidazole moiety as a binding and signaling subunit was synthesized. The sensor was tested in a buffered CH(3)CN/H(2)O (99:1, v/v) solution and found to be selective for iodide as demonstrated by the photophysical properties obtained through UV-vis absorption and fluorescence spectroscopy analyses.

  DOI：

  10.1021/ol2008846

文献信息

• Chromogenic and Fluorescent Recognition of Iodide with a Benzimidazole-Based Tripodal Receptor
  作者：Doo Youn Lee、Narinder Singh、Min Joung Kim、Doo Ok Jang

  DOI：10.1021/ol2008846

  日期：2011.6.17

  A novel 1,3,5-substituted triethylbenzene derivative with a 2-aminobenzimidazole moiety as a binding and signaling subunit was synthesized. The sensor was tested in a buffered CH(3)CN/H(2)O (99:1, v/v) solution and found to be selective for iodide as demonstrated by the photophysical properties obtained through UV-vis absorption and fluorescence spectroscopy analyses.