4-[2-(2-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]Pyridine , CAS No.384820-17-1

CAS: 384820-17-1 Cat. No.: B669027 Molecular Weight: 394.2 PubChem CID: 9886904

Synonyms

4-[2-(2-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]Pyridine | 4-[2-(2-BROMOPHENYL)-5-(4-FLUOROPHENYL)-1H-IMIDAZOL-4-YL]PYRIDINE | 4-(2-(2-Bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyridine | DTXSID90432412 | BDBM50104384 | FT-0749892 | 4-[2-(

Storage

Room temperature

Specifications

Synonyms

4-[2-(2-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]Pyridine | 4-[2-(2-BROMOPHENYL)-5-(4-FLUOROPHENYL)-1H-IMIDAZOL-4-YL]PYRIDINE | 4-(2-(2-Bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyridine | DTXSID90432412 | BDBM50104384 | FT-0749892 | 4-[2-(

Storage

Room temperature

Product Properties

• ALogP: 4.8

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)Br
• IUPAC Name: 4-[2-(2-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
• InChIKey: COVWDRBCMJOSQM-UHFFFAOYSA-N
• INCHI: 1S/C20H13BrFN3/c21-17-4-2-1-3-16(17)20-24-18(13-5-7-15(22)8-6-13)19(25-20)14-9-11-23-12-10-14/h1-12H,(H,24,25)
• Isomeric SMILES: C1=CC=C(C(=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)Br
• PubChem CID: 9886904
• Molecular Weight: 394.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: 2,4,5-trisubstituted imidazoles Fluorobenzenes Bromobenzenes Pyridines and derivatives Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylimidazole - 5-phenylimidazole - 4-phenylimidazole - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

Associated Targets(Human)

GCGR Tclin Glucagon receptor (1 Activities)

Discover Target: GCGR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GCGR Tclin Glucagon receptor (2563 Activities)

Discover Target: GCGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 394.200 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 393.028 Da
• Monoisotopic Mass: 393.028 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 423.000
• 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