4,5-Bis-(3,5-dichloro-phenyl)-2-methylsulfanyl-1H-imidazole | 229471-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5-Bis-(3,5-dichloro-phenyl)-2-methylsulfanyl-1H-imidazole
• 英文别名: 4,5-bis(3,5-dichlorophenyl)-2-methylsulfanyl-1H-imidazole
• CAS: 229471-22-1
• 化学式: C₁₆H₁₀Cl₄N₂S
• 分子量: 404.147
• InChiKey: CIDDEHNHQXXVOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-Bis-(3,5-dichloro-phenyl)-2-methylsulfanyl-1H-imidazole 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 4,5-Bis-(3,5-dichloro-phenyl)-2-methanesulfonyl-1H-imidazole
  参考文献：
  名称：

  Analogues of 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole as potential antibacterial agents

  摘要：

  A preliminary exploration of analogues of 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole, 1, as novel antibacterial agents was carried out to determine the basic features of the structure responsible for the observed biological activity. The presence of two aryl rings, the imidazole NH and either a good electron withdrawing group or an aldehyde or amino group at C-2 were required for good levels of activity against methicillin resistant Staphylococcus aureus (MRSA). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00112-2
• 作为产物：
  描述：

  3,5-二氯苯甲醛 在 吡啶 、 sodium hydride 、 3-乙基-5-(2-羟乙基)-4-甲基噻唑溴化物 、 copper(II) sulfate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 4,5-Bis-(3,5-dichloro-phenyl)-2-methylsulfanyl-1H-imidazole
  参考文献：
  名称：

  Analogues of 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole as potential antibacterial agents

  摘要：

  A preliminary exploration of analogues of 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole, 1, as novel antibacterial agents was carried out to determine the basic features of the structure responsible for the observed biological activity. The presence of two aryl rings, the imidazole NH and either a good electron withdrawing group or an aldehyde or amino group at C-2 were required for good levels of activity against methicillin resistant Staphylococcus aureus (MRSA). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00112-2

文献信息

• Analogues of 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole as potential antibacterial agents
  作者：Marinella Antolini、Andrea Bozzoli、Chiara Ghiron、Gordon Kennedy、Tino Rossi、Antonella Ursini

  DOI：10.1016/s0960-894x(99)00112-2

  日期：1999.4

  A preliminary exploration of analogues of 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole, 1, as novel antibacterial agents was carried out to determine the basic features of the structure responsible for the observed biological activity. The presence of two aryl rings, the imidazole NH and either a good electron withdrawing group or an aldehyde or amino group at C-2 were required for good levels of activity against methicillin resistant Staphylococcus aureus (MRSA). (C) 1999 Elsevier Science Ltd. All rights reserved.