402948-37-2 (2-[5-(4-甲基哌嗪)苯并咪唑-2-基]乙酸乙酯,Ethyl 2-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)acetate)

CAS号:
402948-37-2
中文名称:
2-[5-(4-甲基哌嗪)苯并咪唑-2-基]乙酸乙酯
英文名称:
Ethyl 2-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)acetate
分子式:
C16H22N4O2
分子量:
302.371483325958

2-[5-(4-甲基哌嗪)苯并咪唑-2-基]乙酸乙酯(402948-37-2)名称与标识符

名称

中文别名:
2-[5-(4-甲基哌嗪)苯并咪唑-2-基]乙酸乙酯;
英文别名:
Ethyl 2-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)acetate;[6-(4-METHYLPIPERAZIN-1-YL)-1HBENZIMIDAZOL-2-YL]ACETIC ACID ETHYL ESTER;ethyl 2-(6-(4-methylpiperazin-1-yl) -1H-benzo[d]imidazol-2-yl)acetate;Ethyl 2-[5-(4-methylpiperazinyl)benzimidazol-2-yl]acetate;ethyl 2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate;[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetic acid ethyl ester;[6-(4-methyl-piperazin-1-yl)-1H-benzoimidazol-2-yl]-acetic acid ethyl ester;ETHYL 2-[5-(4-METHYLPIPERAZINYL)BENZO[D]IMIDAZOL-2-YL]ACETATE;ANQVKHGDALCPFZ-UHFFFAOYSA-N;BCP11304;SB17844;AK398192;Ethyl [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate;ethyl [5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate;5-(4-Methylpiperazino)-1H-benzoimidazole-2-acetic acid ethyl ester;[6-(4-Methyl-piperazin-1-y;[6-(4-Methyl-piperazin-1-yl)-1H-benzimidazol-2-yl]acet;P17655;A857999;SY308185;MFCD10565679;DTXSID40470425;ethyl 2-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]acetate;ethyl (6-(4-methyl-1-piperazinyl)-1h-benzimidazol-2-yl)acetate;402948-37-2;[6-(4-Methyl-piperazin-1-yl)-1H-benzimidazol-2-yl]acetic acid ethyl ester;CS-0008237;Ethyl 2-[6-(4-Methyl-1-piperazinyl)-2-benzimidazolyl]acetate;[6-(4-Methyl-piperazin-1-yl)-1H-benzimidazol-2-yl]-acetic acid ethyl ester;CRA94837;SCHEMBL985935;

标识符

MDL:
MFCD10565679
InChIKey:
ANQVKHGDALCPFZ-UHFFFAOYSA-N
Inchi:
1S/C16H22N4O2/c1-3-22-16(21)11-15-17-13-5-4-12(10-14(13)18-15)20-8-6-19(2)7-9-20/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,18)
SMILES:
O(CC)C(CC1=NC2=CC=C(C=C2N1)N1CCN(C)CC1)=O

2-[5-(4-甲基哌嗪)苯并咪唑-2-基]乙酸乙酯(402948-37-2)物化性质

实验特性

  • LogP : 1.42320
  • PSA : 61.46000
  • 沸点 : 516.4±50.0°C at 760 mmHg

计算特性

  • 精确分子量 : 302.17400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 302.17427596g/mol
  • 重原子数量 : 22
  • 复杂度 : 384
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.6
  • 拓扑分子极性表面积 : 61.5

2-[5-(4-甲基哌嗪)苯并咪唑-2-基]乙酸乙酯(402948-37-2)安全信息

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