Cas no 87233-64-5 (2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3))
![2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3) structure](https://ossimg.kuujia.com/scimg/87500/87233-64-5x500.png)
87233-64-5 structure
Product Name:2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3)
CAS No:87233-64-5
MF:C46H60N8O14
MW:949.013812065125
CID:1867145
PubChem ID:6448423
Update Time:2025-04-21
2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3) Chemical and Physical Properties
Names and Identifiers
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- 2-(4-methylpiperazin-1-yl)-1-[2-(prop-2-en-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-enoxyethyl)benzimidazole
- 1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-(2-propenyloxy)ethyl)-, (E)-2-butenedioate(2:3)
- 1-(2-(Allyloxy)ethyl)-2-(4-methyl-1-piperazinyl)benzimidazole fumarate (2:3)
- 87233-64-5
-
- Inchi： 1S/2C17H24N4O.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*3-7H,1,8-14H2,2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
- InChI Key： INYWLUSCQYVZRM-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: 948.42289862Da
- Monoisotopic Mass: 948.42289862Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 20
- Heavy Atom Count: 68
- Rotatable Bond Count: 18
- Complexity: 476
- 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-en-1-yloxy)ethyl]-1H-benzimidazole (2E)-but-2-enedioate (2:3) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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