Cas no 90564-71-9 (5-Benzimidazolecarboxamide,1-methyl-(7CI))
90564-71-9 structure
Product Name:5-Benzimidazolecarboxamide,1-methyl-(7CI)
CAS No:90564-71-9
MF:C9H9N3O
MW:175.187261343002
CID:798476
PubChem ID:965327
Update Time:2025-04-19
5-Benzimidazolecarboxamide,1-methyl-(7CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzimidazolecarboxamide,1-methyl-(7CI)
- 1-methylbenzimidazole-5-carboxamide
- 1-Methyl-1H-benzo[d]imidazole-5-carboxamide
- DTXSID20359481
- 90564-71-9
- SCHEMBL1299105
-
- Inchi： 1S/C9H9N3O/c1-12-5-11-7-4-6(9(10)13)2-3-8(7)12/h2-5H,1H3,(H2,10,13)
- InChI Key： GCDGCOQSXIVIMI-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC2=C(C=1)N=CN2C)N
Computed Properties
- Exact Mass: 175.074561919g/mol
- Monoisotopic Mass: 175.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 0.3
- Topological Polar Surface Area: 60.9?2
5-Benzimidazolecarboxamide,1-methyl-(7CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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