CHEMBL256011
8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one|8-(4-Fluoro-phenylethynyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo [b][1,4]diazepin-2-one|8-(4-Fluoro-phenylethynyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CAS: 335258-08-7
| Molecular Formula | C26H17FN4O |
|---|---|
| Molecular Weight | 420.13864 g/mol |
| LogP | 4.8742 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.13864 |
| Monoisotopic Mass | 420.13864 |
| Heavy Atoms | 32 |
| Complexity | 1394.0201 |
Chemical Identifiers
| CAS Number | 335258-08-7 |
|---|---|
| SMILES | C1C(=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)F)NC1=O)C4=CC(=CC=C4)N5C=CN=C5 |
Product Overview
CHEMBL256011 (CAS 335258-08-7), with molecular formula C26H17FN4O and molecular weight 420.13864 g/mol. IUPAC: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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