3-(2-((1-(2-cyanoethyl)-1H-imidazol-2-yl)methyl)-1H-imidazol-1-yl)propanenitrile | 737001-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-((1-(2-cyanoethyl)-1H-imidazol-2-yl)methyl)-1H-imidazol-1-yl)propanenitrile
• 英文别名: bis(N-NCCH2CH2-imidazol-2-yl)methane；3-[2-[[1-(2-Cyanoethyl)imidazol-2-yl]methyl]imidazol-1-yl]propanenitrile
• CAS: 737001-57-9
• 化学式: C₁₃H₁₄N₆
• 分子量: 254.294
• InChiKey: LJCDZADOHHSSEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 3-(2-((1-(2-cyanoethyl)-1H-imidazol-2-yl)methyl)-1H-imidazol-1-yl)propanenitrile 以 甲醇 为溶剂， 以66%的产率得到[Cu(3-(2((1-(2-cyanoethyl)-1H-imidazol-2-yl)methyl)-1H-imidazol-1-yl)propanenitrile)2](ClO4)2*2H2O
  参考文献：
  名称：

  Synthesis and structure of Mn(II), Cu(II) and Zn(II) complexes containing bis-imidazole ligands

  摘要：

  A family of bis-imidazole ligands based on the parent bis(imidazol-2-yl)methane structure, and which can mimic multi-histidine coordination in biological systems, have been complexed to Mn(II), Cu(II) and Zn(11) centres. Five complexes were characterised by X-ray crystallography. A common structural feature of the ligands is that the two imidazole rings, which have a single spacer tetrahedral carbon atom between them, form stable, six-membered N,N' chelate rings with the metals. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.04.015

文献信息

• Synthesis, structure and anti-fungal activity of dimeric Ag(I) complexes containing bis-imidazole ligands
  作者：Suaad Abuskhuna、John Briody、Malachy McCann、Michael Devereux、Kevin Kavanagh、Julia Barreira Fontecha、Vickie McKee

  DOI：10.1016/j.poly.2004.02.006

  日期：2004.4

  ;ive Ag(I) complexes containing the ligands bis(imidazol-2-yl)methane (2-BIM) and its derivatives were prepared and [Ag-2(2-BIM)(2)](ClO4)(2) and [Ag-2(2-BIM(Bz)OH)(2)](ClO4)(2) . EtOH were characterised using X-ray crystallography. In each dimer the two Ag(I) ions are two-coordinate and there are small but definite argentophilic Ag-Ag (d(10)-d(10)) interactions. All of the complexes display anti-fungal activity when tested in vitro against the fungal pathogen Candida albicans. (C) 2004 Elsevier Ltd. All rights reserved.