1-(2,4-dihydroxythiobenzoyl)-2-undecylimidazole | 660441-59-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-(2,4-dihydroxythiobenzoyl)-2-undecylimidazole
• 英文别名: (2,4-Dihydroxyphenyl)(2-undecyl-1H-imidazol-1-yl)methanethione；(2,4-dihydroxyphenyl)-(2-undecylimidazol-1-yl)methanethione
• CAS: 660441-59-8
• 化学式: C₂₁H₃₀N₂O₂S
• 分子量: 374.547
• InChiKey: OOFLDUYRQYIIQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.59
• 重原子数：
  26.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  58.28
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-十一烷基咪唑 、 bis-(2,4-dihydroxythiobenzoyl)sulfinyl 以 甲醇 为溶剂， 反应 3.0h， 生成 1-(2,4-dihydroxythiobenzoyl)-2-undecylimidazole
  参考文献：
  名称：

  Synthesis of some 1-(2,4-dihydroxythiobenzoyl)imidazoles, -imidazolines and -tetrazoles and their potent activity against Candida species

  摘要：

  Various 1-(2,4-dihydroxythiobenzoyl)imidazoles, -imidazolines and -tetrazoles were synthesized and evaluated for their in vitro antifungal activity. Compounds were prepared by the reaction of sulfinyl-bis-(2,4-dihydroxythiobenzoyl) with properly substituted azoles. The MIC values against the Candida albicans ATCC 10231 strain, the azole-resistant clinical isolates of C. albicans and non-Candida species were determined. Tetrazole derivatives were the most active against C. albicans, imidazoline derivatives against non-Candida species. All compounds showed higher activity than that of comparable drugs.

  DOI：

  10.1016/s0014-827x(03)00046-6