Cas no 788770-48-9 (2H-Benzimidazol-2-one,4,5,6-triamino-1,3-dihydro-)
788770-48-9 structure
Product Name:2H-Benzimidazol-2-one,4,5,6-triamino-1,3-dihydro-
CAS No:788770-48-9
MF:C7H9N5O
MW:179.179260015488
CID:554975
PubChem ID:45120882
Update Time:2025-04-19
2H-Benzimidazol-2-one,4,5,6-triamino-1,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Benzimidazol-2-one,4,5,6-triamino-1,3-dihydro-
- 4,5,6-Triamino-1H-benzo[d]imidazol-2(3H)-one
- 788770-48-9
-
- Inchi： 1S/C7H9N5O/c8-2-1-3-6(5(10)4(2)9)12-7(13)11-3/h1H,8-10H2,(H2,11,12,13)
- InChI Key： WEEKITUPONIQLP-UHFFFAOYSA-N
- SMILES： O=C1NC2C=C(C(=C(C=2N1)N)N)N
Computed Properties
- Exact Mass: 179.081
- Monoisotopic Mass: 179.081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 233
- 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
- Topological Polar Surface Area: 119A^2
- XLogP3: -1.5
2H-Benzimidazol-2-one,4,5,6-triamino-1,3-dihydro- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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