4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole | 229471-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole
• 英文别名: 4,5-di(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole；4,5-bis(3,5-dichlorophenyl)-2-(trifluoromethyl)-1H-imidazole
• CAS: 229471-12-9
• 化学式: C₁₆H₇Cl₄F₃N₂
• 分子量: 426.052
• InChiKey: URUGKZFZJRVDQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三氟甲烷磺酸甲酯 、 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole 在 sodium hydride 作用下， 生成 4,5-Bis-(3,5-dichloro-phenyl)-1-methyl-2-trifluoromethyl-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：

  在 吡啶 、 ammonium acetate 、 copper(II) sulfate 、 溶剂黄146 作用下， 生成 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-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

• HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS
  申请人：Exelixis, Inc.

  公开号：EP1844020B1

  公开（公告）日：2017-09-06
• 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.