Cas no 87233-60-1 (2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-yn-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3))

2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-yn-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3) structure
87233-60-1 structure
Product Name:2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-yn-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3)
CAS No:87233-60-1
MF:C46H56N8O14
MW:944.982051849365
CID:1867890
PubChem ID:6448422
Update Time:2025-04-21

2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-yn-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3) Chemical and Physical Properties

Names and Identifiers

    • 2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-yn-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3)
    • (E)-but-2-enedioic acid,2-(4-methylpiperazin-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole
    • 1-(2-(Propargyloxy)ethyl)-2-(4-methyl-1-piperazinyl)benzimidazole fumarate (2:3)
    • 87233-60-1
    • 1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate(2:3)
    • Inchi： 1S/2C17H22N4O.3C4H4O4/c2*1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20;3*5-3(6)1-2-4(7)8/h2*1,4-7H,8-14H2,2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
    • InChI Key： YJZCDCVYTLCPII-VQYXCCSOSA-N
    • SMILES： O(CC#C)CCN1C2C=CC=CC=2N=C1N1CCN(C)CC1.O(CC#C)CCN1C2C=CC=CC=2N=C1N1CCN(C)CC1.OC(/C=C/C(=O)O)=O.OC(/C=C/C(=O)O)=O.OC(/C=C/C(=O)O)=O

Computed Properties

  • Exact Mass: 944.39159849Da
  • Monoisotopic Mass: 944.39159849Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 20
  • Heavy Atom Count: 68
  • Rotatable Bond Count: 16
  • Complexity: 518
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 291?2

2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-yn-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3) Related Literature

87233-60-1 (2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-yn-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3)) Related Products

Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd