Cas no 79759-42-5 (6-bromo-1-phenyl-1,3-dihydro-2H-benzimidazol-2-one)
79759-42-5 structure
Product Name:6-bromo-1-phenyl-1,3-dihydro-2H-benzimidazol-2-one
CAS No:79759-42-5
MF:C13H9BrN2O
MW:289.127362012863
CID:1798570
PubChem ID:3061768
Update Time:2025-04-21
6-bromo-1-phenyl-1,3-dihydro-2H-benzimidazol-2-one Chemical and Physical Properties
Names and Identifiers
-
- 6-bromo-1-phenyl-1,3-dihydro-2H-benzimidazol-2-one
- 5-bromo-3-phenyl-1H-benzimidazol-2-one
- SCHEMBL15396404
- 79759-42-5
- 1,3-Dihydro-6-bromo-1-phenyl-2H-benzimidazol-2-one
- 2H-Benzimidazol-2-one, 1,3-dihydro-6-bromo-1-phenyl-
- DTXSID30229868
- BRN 5543659
-
- Inchi： 1S/C13H9BrN2O/c14-9-6-7-11-12(8-9)16(13(17)15-11)10-4-2-1-3-5-10/h1-8H,(H,15,17)
- InChI Key： RRLXUIBBRLNXFH-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)N(C(N2)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 287.98983g/mol
- Monoisotopic Mass: 287.98983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 304
- 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: 3
- Topological Polar Surface Area: 32.3?2
6-bromo-1-phenyl-1,3-dihydro-2H-benzimidazol-2-one Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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