Cas no 115398-77-1 (1H-Isoindole-1,3(2H)-dione,2-[[1-[(4-phenyl-1-piperazinyl)methyl]-1H-benzimidazol-2-yl]methyl]-)
![1H-Isoindole-1,3(2H)-dione,2-[[1-[(4-phenyl-1-piperazinyl)methyl]-1H-benzimidazol-2-yl]methyl]- structure](https://ossimg.kuujia.com/scimg/115500/115398-77-1x500.png)
115398-77-1 structure
Product Name:1H-Isoindole-1,3(2H)-dione,2-[[1-[(4-phenyl-1-piperazinyl)methyl]-1H-benzimidazol-2-yl]methyl]-
CAS No:115398-77-1
MF:C27H25N5O2
MW:451.519705533981
CID:161457
PubChem ID:3087639
Update Time:2025-04-19
1H-Isoindole-1,3(2H)-dione,2-[[1-[(4-phenyl-1-piperazinyl)methyl]-1H-benzimidazol-2-yl]methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-1,3(2H)-dione,2-[[1-[(4-phenyl-1-piperazinyl)methyl]-1H-benzimidazol-2-yl]methyl]-
- 1H-Isoindole-1,3(2H)-dione, 2-((1-((4-phenyl-1-piperazinyl)methyl)-1H-benzimidazol-2-yl)methyl)-
- 2-[[1-[(4-phenylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
- DTXSID50151071
- 115398-77-1
-
- Inchi： 1S/C27H25N5O2/c33-26-21-10-4-5-11-22(21)27(34)31(26)18-25-28-23-12-6-7-13-24(23)32(25)19-29-14-16-30(17-15-29)20-8-2-1-3-9-20/h1-13H,14-19H2
- InChI Key： GWGZHGYOVPYUCK-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(N1CC1=NC2C=CC=CC=2N1CN1CCN(C2C=CC=CC=2)CC1)=O
Computed Properties
- Exact Mass: 451.20105
- Monoisotopic Mass: 451.201
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 723
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 61.7?2
Experimental Properties
- Density: 1.33
- Boiling Point: 660.4°Cat760mmHg
- Flash Point: 353.2°C
- Refractive Index: 1.711
- PSA: 61.68
1H-Isoindole-1,3(2H)-dione,2-[[1-[(4-phenyl-1-piperazinyl)methyl]-1H-benzimidazol-2-yl]methyl]- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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