5-[[1-(2,3-Dimethylphenyl)-5-hydroxy-3-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl]methylene]-3-(3-methyl-2-buten-1-yl)-2,4-imidazolidinedione
Basic information
- CAS
1017778-17-4- Standard SMILES
CC(C)=CCN1C(=O)NC(=Cc2c(Cc3ccccc3C)[nH]n(-c3cccc(C)c3C)c2=O)C1=O- InChIKey
NWPXLBKAKIZZRL-UHFFFAOYSA-N- Molecular formula
- C28H30N4O3
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.23179083
Names & identifiers
- Preferred name
- 5-[[1-(2,3-Dimethylphenyl)-5-hydroxy-3-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl]methylene]-3-(3-methyl-2-buten-1-yl)-2,4-imidazolidinedione
- IUPAC
- 5-[[2-(2,3-dimethylphenyl)-5-[(2-methylphenyl)methyl]-3-oxo-1H-pyrazol-4-yl]methylidene]-3-(3-methylbut-2-enyl)imidazolidine-2,4-dione
Names & synonyms
DTXSID0011012231017778-17-45-[[1-(2,3-Dimethylphenyl)-5-hydroxy-3-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl]methylene]-3-(3-methyl-2-buten-1-yl)-2,4-imidazolidinedione
Database identifiers
- CAS
1017778-17-4- PubChem CID
- 75141981
- DTXSID
DTXSID001101223
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 961
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Compound notes
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