1-[4-(aminomethyl)phenyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one | 1369032-56-3

• 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: 1-[4-(aminomethyl)phenyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
• 英文别名: 3-[4-(aminomethyl)phenyl]-1H-benzimidazol-2-one
• CAS: 1369032-56-3
• 化学式: C₁₄H₁₃N₃O
• 分子量: 239.27
• InChiKey: IXCCWLLJEJGINF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• [EN] CARBOXYAMIDO DERIVATIVES<br/>[FR] DERIVES CARBOXYAMIDO
  申请人：MITSUBISHI TOKYO PHARM INC

  公开号：WO2001042224A1

  公开（公告）日：2001-06-14

  A carboxyamido derivative represented by formula (I) useful as a medicament for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity: wherein R1 represents 2-hydroxybenzimidazolyl group which may be substituted and the like; Y represents oxygen atom or sulfur atom; R2 represents hydrogen atom or an alkyl group; n represents 0, 1 or 2; at least one of X?1, X2, X3, X?4 and X5¿ represent (a) NR3R4, (b) N+R5R6R7, or (c) a nitrogen-containing heterocyclic group having one or more sp2 nitrogen atoms which may be substituted, in which R?3 and R4¿ independently represent hydrogen atom, an alkyl group and the like, or R3, N and R4 may combine together to form a nitrogen-containing heterocyclic group which may be substituted; R?5, R6 and R7¿ represent an alkyl group and the like, or R5, N and R6 may combine together to form a nitrogen-containing heterocyclic group which may be substituted; or neighboring X?2 and X3 or X3 and X4¿ and the like may combine together with the benzene ring to form an isoindoline ring and the like, and the rest of them represent hydrogen atom.