Cas no 124709-76-8 (1H-Imidazole-5-carboxamide,2-(1-methylethyl)-)
124709-76-8 structure
Product Name:1H-Imidazole-5-carboxamide,2-(1-methylethyl)-
CAS No:124709-76-8
MF:C7H11N3O
MW:153.181740999222
CID:103686
PubChem ID:14517189
Update Time:2025-04-18
1H-Imidazole-5-carboxamide,2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-carboxamide,2-(1-methylethyl)-
- 1H-Imidazole-4-carboxamide,2-(1-methylethyl)-(9CI)
- 124709-76-8
- 2-propan-2-yl-1H-imidazole-5-carboxamide
- SCHEMBL279951
- 2-Isopropyl-1H-imidazole-4-carboxamide
-
- Inchi： 1S/C7H11N3O/c1-4(2)7-9-3-5(10-7)6(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10)
- InChI Key： FVUBAPFLWRPCKY-UHFFFAOYSA-N
- SMILES： O=C(C1=CN=C(C(C)C)N1)N
Computed Properties
- Exact Mass: 152.0825
- Monoisotopic Mass: 153.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- 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: 0.4
- Topological Polar Surface Area: 71.8?2
Experimental Properties
- PSA: 68.87
1H-Imidazole-5-carboxamide,2-(1-methylethyl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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