2-<2-(4-Hydroxy-benzylidenamino)-phenyl>-benzimidazol | 96221-42-0

• 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: 2-<2-(4-Hydroxy-benzylidenamino)-phenyl>-benzimidazol
• 英文别名: 4-{{{2-(1H-benzimidazol-2-yl)phenyl}imino}methyl}phenol；4-{[2-(1H-benzoimidazol-2-yl)-phenylimino]-methyl}-phenol；4-{[(E)-2-(1H-Benzoimidazol-2-yl)-phenylimino]-methyl}-phenol；4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
• CAS: 96221-42-0
• 化学式: C₂₀H₁₅N₃O
• 分子量: 313.359
• InChiKey: PLHSUBNFTVCBGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  617.8±65.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cobalt(II) bromide 、 2-<2-(4-Hydroxy-benzylidenamino)-phenyl>-benzimidazol 以 1,2-二氯乙烷 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  Molleda, C.; Masaguer, J. R.; Garcia-Vazquez, J. A., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1989, vol. 19, p. 181 - 194

  摘要：

  DOI：
• 作为产物：
  描述：

  邻氨基苯甲酸 在 zinc(II) chloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 生成 2-<2-(4-Hydroxy-benzylidenamino)-phenyl>-benzimidazol
  参考文献：
  名称：

  Desai; Bhatt, Nayan; Kumar, Mukesh, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2011, vol. 50, # 7, p. 941 - 945

  摘要：

  DOI：

文献信息

• Souza, P.; Garcia-Vazquez, J. A.; Masaguer, J. R., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1985, vol. 15, p. 247 - 262
  作者：Souza, P.、Garcia-Vazquez, J. A.、Masaguer, J. R.

  DOI：——

  日期：——
• Molleda, C.; Masaguer, J. R.; Garcia-Vazquez, J. A., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1989, vol. 19, p. 181 - 194
  作者：Molleda, C.、Masaguer, J. R.、Garcia-Vazquez, J. A.

  DOI：——

  日期：——
• Desai; Bhatt, Nayan; Kumar, Mukesh, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2011, vol. 50, # 7, p. 941 - 945
  作者：Desai、Bhatt, Nayan、Kumar, Mukesh、Makwana, Atul

  DOI：——

  日期：——
• Synthesis, biological screening and molecular modeling studies of novel 3-chloro-4-substituted-1-(2-(1H-benzimidazol-2-yl)phenyl))-azetidin-2-ones
  作者：Santosh S. Chhajed、Chandrashekhar D. Upasani

  DOI：10.3109/14756366.2011.598867

  日期：2012.8.1

  In the present investigation synthesis of some novel 1-(2-(1H-benzimidazol-2-yl)phenyl)-3-chloro-4-(Un/substitutedphenyl)azetidin-2-one (3a-3h) antibacterial are reported. Structures of synthesized compounds were confirmed by spectral techniques (IR, Mass, H-1-NMR) All reactions were monitored with analytical thin layer chromatography. Synthesized compounds were docked in to the active site of enzyme transpeptidase. Compounds 3a, 3b, 3d and 3g were found to have good affinity for transpeptidase with potent antibacterial activity. A good correlation is found between in silico docking analysis and in vitro antibacterial activity.