Imidazenil , CAS No.151271-08-8

CAS: 151271-08-8 Cat. No.: I412945 Formula: C₁₈H₁₂BrFN₄O Molecular Weight: 399.22

Synonyms

Imidazenil|151271-08-8|6-(2-bromophenyl)-8-fluoro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide|4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxamide, 6-(2-bromophenyl)-8-fluoro-|7N95V6864R|6-(2-Bromophenyl)-8-fluoro-4H-imidazo(1,5-a)(1,4)benzodiazepine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Imidazenil is a GABA-A modulator that blocks the sedative effects without lowering the convulsion threshold.

Specifications

Synonyms

Imidazenil | 151271-08-8 | 6-(2-bromophenyl)-8-fluoro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide | 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxamide, 6-(2-bromophenyl)-8-fluoro- | 7N95V6864R | 6-(2-Bromophenyl)-8-fluoro-4H-imidazo(1,5-a)(1,4)benzodiazepine

Biochemical and Physiological Mechanisms

Imidazenil is a GABA-A modulator that blocks the sedative effects without lowering the convulsion threshold.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• 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

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 151271-08-8, the molecular formula is C18H12BrFN4O, and the molecular weight is 399.22 g/mol. InChIKey OCJHYHKWUWSHEN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.