Basic information
- Standard SMILES
CC(N1C(=O)C(=O)N(c2cccc(C#N)c2)C1=S)C(C)(C)C- InChIKey
HZPKHPVRDKFICJ-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S
- Average molar mass
- 315.4 g/mol
Names & identifiers
- Preferred name
- 3-[4,5-Dioxo-2-thioxo-3-(1,2,2-trimethyl-propyl)-imidazolidin-1-yl]-benzonitrile
- IUPAC
- 3-[3-(3,3-dimethylbutan-2-yl)-4,5-dioxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile
Names & synonyms
SCHEMBL6067998HZPKHPVRDKFICJ-UHFFFAOYSA-N3-[4,5-dioxo-2-thioxo-3-(1,2,2-trimethyl-propyl)-imidazolidin-1-yl]-benzonitrile
Database identifiers
- PubChem CID
- 10149690
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 557
Related reactions
1 records
Compound notes
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