4-Phenylimidazole - ≥98% , CAS No.670-95-1

CAS: 670-95-1 Cat. No.: P135879 Summenformel: C₉H₈N₂ Molekulargewicht: 144.18 Beilstein Registry Number: 23182 EG-Nummer: 211-580-1 PubChem CID: 69590

GRADE & PURITY ≥98%

Synonyms

F8880-8368 | PD059830 | 4-Phenylimidazole | 4-phenyl-imidazole | FT-0619408 | InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11 | 1H-Imidazole, 5-phenyl- | SCHEMBL37563 | W-104732 | 4(5)-Phenylimidazole | NSC 195337 | STK741347 | Imidazole, 4-phe

Storage

Room temperature

Shipped In

Normal

Übersicht

4-Phenylimidazole was used to investigate the protein-ligand interactions in cytochrome P450 from the thermoacidophile Picrophilus torridus.It was used as heme ligand during the crystallization of recombinant human indoleamine 2,3-dioxygenase.It was used in the synthesis of complexes of copper and cobalt.

Specifications

Synonyme

F8880-8368 | PD059830 | 4-Phenylimidazole | 4-phenyl-imidazole | FT-0619408 | InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11 | 1H-Imidazole, 5-phenyl- | SCHEMBL37563 | W-104732 | 4(5)-Phenylimidazole | NSC 195337 | STK741347 | Imidazole, 4-phe

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488184364
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184364
• Kanonisches Lächeln: C1=CC=C(C=C1)C2=CN=CN2
• IUPAC Name: 5-phenyl-1H-imidazole
• InChIKey: XHLKOHSAWQPOFO-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
• Isomere SMILES: C1=CC=C(C=C1)C2=CN=CN2
• WGK Deutschland: 3
• PubChem CID: 69590
• Molekulargewicht: 144.18
• Beilstein: 23182

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Imidazoles
        • Ebene5 Substituted imidazoles
          • Ebene6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylimidazole - 5-phenylimidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

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A-375 (9258 Activities)

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cyp51 Lanosterol 14-alpha demethylase (36 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: acetone: soluble25 mg/mL, clear, colorless to yellow (typical)
• Schmelzpunkt (°C): 146 °C
• Molekulargewicht: 144.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.069 Da
• Monoisotopic Mass: 144.069 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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