(3-cyclohexyl-2-hydroxyphenyl)-(1-methyl-5-nitro-1H-2-imidazolyl)methanol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-cyclohexyl-2-hydroxyphenyl)-(1-methyl-5-nitro-1H-2-imidazolyl)methanol
• 英文别名: 2-Cyclohexyl-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol
• 化学式: C₁₇H₂₁N₃O₄
• 分子量: 331.371
• InChiKey: HAWCPKGVIKCINA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-甲基-5-硝基-2-羟甲基咪唑 在 manganese(IV) oxide 、 双氧水 、 丙酸 、 苯硼酸 作用下， 以 氯仿 为溶剂， 反应 33.5h， 生成 (3-cyclohexyl-2-hydroxyphenyl)-(1-methyl-5-nitro-1H-2-imidazolyl)methanol
  参考文献：
  名称：

  Preparation, antimicrobial evaluation, and mutagenicity of [2-hydroxyaryl]-[1-methyl-5-nitro-1H-2-imidazolyl]methanols, [5-tert-Butyl-2-methylaminophenyl]-[1-methyl-5-nitro-1H-2-imidazolyl]methanol, and [2-Hydroxyaryl]-[1-methyl-5-nitro-1H-2-imidazolyl] ketones

  摘要：

  Efficient preparations of the titled compounds are described, their antimicrobial activity and mutagenic properties being evaluated. Some of the studied compounds are nonmutagenic and present a MIC as low as some of the usual standards in the field. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00138-7

文献信息

• Preparation, antimicrobial evaluation and mutagenicity of differently substituted [2-hydroxyaryl]-[1-methyl-5-nitro-1H-2-imidazolyl]methanols
  作者：Y. Arredondo、M. Moreno-Mañas、R. Pleixats、C. Palacín、M.M. Raga、J.M. Castelló、J.A. Ortiz

  DOI：10.1016/0960-894x(96)00317-4

  日期：1996.8

  An efficient preparation of the titled compounds is described, their antimicrobial activity and mutagenic properties being evaluated. Some of the studied compounds are non mutagenic and present a MIC as low as some of the usual standards in the field. Copyright (C) 1996 Elsevier Science Ltd