2-Imidazolin-5-one, 4,4-diphenyl-2-(methylthio)-1-(morpholinomethyl)-
Basic information
- CAS
21616-50-2- Standard SMILES
CSC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCOCC1- InChIKey
BRHXMUYKBFOAAE-UHFFFAOYSA-N- Molecular formula
- C21H23N3O2S
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.15109816
Names & identifiers
- Preferred name
- 2-Imidazolin-5-one, 4,4-diphenyl-2-(methylthio)-1-(morpholinomethyl)-
- IUPAC
- 2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5,5-diphenylimidazol-4-one
Names & synonyms
BRN 11667512-IMIDAZOLIN-5-ONE, 4,4-DIPHENYL-2-(METHYLTHIO)-1-(MORPHOLINOMETHYL)-DTXSID9017600121616-50-24,4-Diphenyl-2-(methylthio)-1-(morpholinomethyl)-2-imidazolin-5-oneRefChem:261982DTXCID30984922-(Methylsulfanyl)-3-[(morpholin-4-yl)methyl]-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one
Database identifiers
- CAS
21616-50-2- PubChem CID
- 30711
- DTXSID
DTXSID90176001
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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