Cas no 780803-08-9 (1H-Imidazole-1-carboxamide,N-1H-imidazol-2-yl-)
780803-08-9 structure
Product Name:1H-Imidazole-1-carboxamide,N-1H-imidazol-2-yl-
CAS No:780803-08-9
MF:C7H7N5O
MW:177.163379907608
CID:553804
PubChem ID:45120888
Update Time:2025-04-19
1H-Imidazole-1-carboxamide,N-1H-imidazol-2-yl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-carboxamide,N-1H-imidazol-2-yl-
- N-(1H-Imidazol-2-yl)-1H-imidazole-1-carboxamide
- imidazole-1-carboxylic acid (1H-imidazol-2-yl)-amide
- LXNUVNDZJZKGKT-UHFFFAOYSA-N
- 780803-08-9
- SCHEMBL2084063
-
- Inchi： 1S/C7H7N5O/c13-7(12-4-3-8-5-12)11-6-9-1-2-10-6/h1-5H,(H2,9,10,11,13)
- InChI Key： LXNUVNDZJZKGKT-UHFFFAOYSA-N
- SMILES： O=C(NC1=NC=CN1)N1C=NC=C1
Computed Properties
- Exact Mass: 177.065
- Monoisotopic Mass: 177.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 197
- 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: 75.6A^2
- XLogP3: -0.2
1H-Imidazole-1-carboxamide,N-1H-imidazol-2-yl- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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