2-Imidazolin-5-one, 1,1'-(1,4-piperazinediyldimethylene)bis(2-(methylthio)-4,4-diphenyl-
Basic information
- CAS
21616-56-8- Standard SMILES
CSC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2SC)CC1- InChIKey
KNWASXRHCXWOAE-UHFFFAOYSA-N- Molecular formula
- C38H38N6O2S2
- Average molar mass
- 674.9 g/mol
- Monoisotopic mass
- 674.24976682
Names & identifiers
- Preferred name
- 2-Imidazolin-5-one, 1,1'-(1,4-piperazinediyldimethylene)bis(2-(methylthio)-4,4-diphenyl-
- IUPAC
- 2-methylsulfanyl-3-[[4-[(2-methylsulfanyl-5-oxo-4,4-diphenylimidazol-1-yl)methyl]piperazin-1-yl]methyl]-5,5-diphenylimidazol-4-one
Names & synonyms
BRN 073837721616-56-82-Imidazolin-5-one, 1,1'-(1,4-piperazinediyldimethylene)bis(2-(methylthio)-4,4-diphenyl-DTXSID501760021,1'-(1,4-Piperazinediyldimethylene)bis(2-(methylthio)-4,4-diphenyl-2-imidazolin-5-one)RefChem:261981DTXCID80984933,3'-[Piperazine-1,4-diylbis(methylene)]bis[2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one]
Database identifiers
- CAS
21616-56-8- PubChem CID
- 210790
- DTXSID
DTXSID50176002
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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