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4,5-Diphenyl-1,5-dihydroimidazol-2-one , CAS No.53684-56-3
Basic Description
Synonyms
4,5-diphenyl-1,5-dihydroimidazol-2-one | 4,5-Diphenyl-2-imidazolinone | 4,5-diphenyl-1H-imidazol-2(5H)-one | 1,5-Dihydro-4,5-diphenyl-2H-imidazol-2-one | NSC1152 | EINECS 258-701-4 | 4,5-DIPHENYL-3-IMIDAZOLIN-2-ONE | Maybridge1_000016 | Cambridge id 51622
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Stilbenes
Alternative Parents
Benzene and substituted derivatives Imidazoles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Stilbene - Benzenoid - Monocyclic benzene moiety - Imidazole - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4,5-diphenyl-1,5-dihydroimidazol-2-one
INCHI
InChI=1S/C15H12N2O/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10,13H,(H,16,18)
InChIKey
UXKWMBYYIUTXCY-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=CC=C3
Isomeric SMILES
C1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=CC=C3
PubChem CID
95311
Molecular Weight
236.27
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
236.270 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
236.095 Da
Monoisotopic Mass
236.095 Da
Topological Polar Surface Area
41.500 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
338.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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