2-(2-hydroxy-5-methylphenyl)-1H-benzimidazole hydrochloride | 1291102-26-5

• 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-hydroxy-5-methylphenyl)-1H-benzimidazole hydrochloride
• 英文别名: 2-(2-Hydroxy-5-methylphenyl)-1h-benzimidazolium chloride；2-(1H-benzimidazol-1-ium-2-yl)-4-methylphenol;chloride
• CAS: 1291102-26-5
• 化学式: C₁₄H₁₂N₂O*ClH
• 分子量: 260.723
• InChiKey: IWNDFFIUWNASOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  49.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(1H-benzo[d]imidazol-2-yl)-4-methylphenol 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 2-(2-hydroxy-5-methylphenyl)-1H-benzimidazole hydrochloride
  参考文献：
  名称：

  Zn(II) and Cu(II) complexes of 2-(2-hydroxy-5-methylphenyl)-1H-benzimidazole and crystal structure of 2-(2-hydroxy-5-methylphenyl)-1H-benzimidazolium chloride

  摘要：

  2-(2-Hydroxy-5-methylphenyl)-1H-benzimidazole ligand (HL) and its complexes with Cu(NO(3))(2), Zn(NO(3))(2) have been synthesized and characterized. The structures of the compounds were confirmed on the basis of elemental analysis, molar conductivity, magnetic moment, FT-IR, (1)H- and (13)C NMR. Cu(II) complex has 1: 2 metal: ligand ratio, while Zn(II) complex is 1: 1. Crystal structure of 2-(2-hydroxy-5-methylphenyl)-1H-benzimidazolium chloride (HL center dot HC1) was determined by single-crystal X-ray diffraction. It crystallizes in the orthorombic, space group P2(1)2(1)2(1)and Z = 4.

  DOI：

  10.1134/s0036023610030137