Information
Imidazenil is a GABA-A modulator that blocks the sedative effects without lowering the convulsion threshold.
| Canonical Smiles | C1C2=C(N=CN2C3=C(C=C(C=C3)F)C(=N1)C4=CC=CC=C4Br)C(=O)N |
|---|---|
| IUPAC Name | 6-(2-bromophenyl)-8-fluoro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide |
| InChIKey | OCJHYHKWUWSHEN-UHFFFAOYSA-N |
| INCHI | 1S/C18H12BrFN4O/c19-13-4-2-1-3-11(13)16-12-7-10(20)5-6-14(12)24-9-23-17(18(21)25)15(24)8-22-16/h1-7,9H,8H2,(H2,21,25) |
| Isomeric SMILES | C1C2=C(N=CN2C3=C(C=C(C=C3)F)C(=N1)C4=CC=CC=C4Br)C(=O)N |
| Molecular Weight | 399.22 |
| Reaxy-Rn | 7775595 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7775595&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodiazepines |
| Subclass | 1,4-benzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazo[1,5-a][1,4]benzodiazepines |
| Alternative Parents | 2-heteroaryl carboxamides 1,4-diazepines Bromobenzenes Carbonylimidazoles Aryl bromides Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Organopnictogen compounds Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazo[1,5-a][1,4]benzodiazepine - 2-heteroaryl carboxamide - Para-diazepine - Bromobenzene - Imidazole-4-carbonyl group - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Primary carboxylic acid amide - Ketimine - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organofluoride - Organic oxygen compound - Organopnictogen compound - Imine - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organobromide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing one nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 399.200 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 398.018 Da |
| Monoisotopic Mass | 398.018 Da |
| Topological Polar Surface Area | 73.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 559.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
