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CAS Number: 402948-37-2
ethyl 2-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)acetate

Structure

ethyl 2-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)acetate
Name: ethyl 2-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)acetate
Synonyms:
General Information
Product Number: 402948372
CAS Registry Number: 402948-37-2
Name:
1H-​Benzimidazole-​2-​acetic acid, 6-​(4-​methyl-​1-​piperazinyl)​-​, ethyl ester
1H-​Benzimidazole-​2-​acetic acid, 5-​(4-​methyl-​1-​piperazinyl)​-​, ethyl ester (9CI); Ethyl 2-​[5-​(4-​methylpiperazinyl)​benzimidazol-​2-​yl]​acetate 
 
Chemical Formula: C16H22N4O2
Exact Mass: 302.17
Molecular Weight: 302.37
m/z: 302.17 (100.0%), 303.18 (17.6%), 304.18 (1.9%), 303.17 (1.5%)
Elemental Analysis: C, 63.55; H, 7.33; N, 18.53; O, 10.58
 
InChI: 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)
InChIKey: ANQVKHGDALCPFZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC1=NC2=C(N1)C=C(C=C2)N3CCN(CC3)C

Specification

98%

References
  1. (1) Zhu, Shuguang; Chimia 2006, V60(9), P584-592 CAPLUS
  2. (2) Renhowe, Paul A.; Journal of Medicinal Chemistry 2009, V52(2), P278-292 CAPLUS
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