(E)-4-[[5-benzoyl-1-(4-methylphenyl)imidazol-4-yl]amino]pent-3-en-2-one

Base Information

• Chemical Name: (E)-4-[[5-benzoyl-1-(4-methylphenyl)imidazol-4-yl]amino]pent-3-en-2-one
• CAS No.: 6042-58-6
• Molecular Formula: C22H21N3O2
• Molecular Weight: 359.421
• DSSTox Substance ID: DTXSID80417374
• Wikidata: Q82227240
• Mol file: 6042-58-6.mol

Synonyms:6042-58-6;(E)-4-[[5-benzoyl-1-(4-methylphenyl)imidazol-4-yl]amino]pent-3-en-2-one;AC1NT6V5;DTXSID80417374;BIM-0048815.P001

Chemical Property of (E)-4-[[5-benzoyl-1-(4-methylphenyl)imidazol-4-yl]amino]pent-3-en-2-one

Chemical Property:

• Vapor Pressure: 6.33E-14mmHg at 25°C
• Boiling Point: 590.6°Cat760mmHg
• Flash Point: 311°C
• Density: 1.14g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 359.16337692
• Heavy Atom Count: 27
• Complexity: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C=NC(=C2C(=O)C3=CC=CC=C3)NC(=CC(=O)C)C
• Isomeric SMILES: CC1=CC=C(C=C1)N2C=NC(=C2C(=O)C3=CC=CC=C3)N/C(=C/C(=O)C)/C