Cas no 394222-91-4 (1H-Benzimidazole-2-methanamine,5,7-difluoro-)
394222-91-4 structure
Product Name:1H-Benzimidazole-2-methanamine,5,7-difluoro-
CAS No:394222-91-4
MF:C8H7F2N3
MW:183.158087968826
CID:299666
PubChem ID:45077899
Update Time:2025-04-19
1H-Benzimidazole-2-methanamine,5,7-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-methanamine,5,7-difluoro-
- 1H-Benzimidazole-2-methanamine,4,6-difluoro- (9CI)
- SCHEMBL4269239
- (4,6-difluoro-1H-benzimidazol-2-yl)methanamine
- (4,6-difluoro-1H-benzo[d]imidazol-2-yl)methanamine
- 4,6-difluoro-1h-benzimidazole-2-methanamine
- 1H-Benzimidazole-2-methanamine,4,6-difluoro-(9CI)
- AKOS017514581
- 394222-91-4
-
- Inchi： 1S/C8H7F2N3/c9-4-1-5(10)8-6(2-4)12-7(3-11)13-8/h1-2H,3,11H2,(H,12,13)
- InChI Key： XGMHFIJWQYAMMH-UHFFFAOYSA-N
- SMILES： FC1=CC(=CC2=C1N=C(CN)N2)F
Computed Properties
- Exact Mass: 183.06091
- Monoisotopic Mass: 183.06080356g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 190
- 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: 0.6
- Topological Polar Surface Area: 54.7?2
Experimental Properties
- PSA: 54.7
1H-Benzimidazole-2-methanamine,5,7-difluoro- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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