(E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-phenylprop-2-en-1-one

Base Information

• Chemical Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-phenylprop-2-en-1-one
• CAS No.: 5677-04-3
• Molecular Formula: C28H23N3O
• Molecular Weight: 417.5017
• DSSTox Substance ID: DTXSID10417044
• Wikidata: Q82226695

Synonyms:5677-04-3;BAS 00791757;DTXSID10417044;AKOS000522539;BIM-0027808.P001;Z44329260

Chemical Property of (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-phenylprop-2-en-1-one

Chemical Property:

• Vapor Pressure: 1.36E-16mmHg at 25°C
• Boiling Point: 646.3°C at 760 mmHg
• Flash Point: 344.7°C
• Density: 1.17g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 417.184112366
• Heavy Atom Count: 32
• Complexity: 678

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C=C(C3=NC4=CC=CC=C4N3)C(=O)C5=CC=CC=C5
• Isomeric SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C(\C3=NC4=CC=CC=C4N3)/C(=O)C5=CC=CC=C5

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