Basic information
- Standard SMILES
N#Cc1ccc(C2NC(=O)NC2=O)c(C#Cc2ccccc2)c1- InChIKey
AWYHVGYMWAPXQC-UHFFFAOYSA-N- Molecular formula
- C18H11N3O2
- Average molar mass
- 301.3 g/mol
Names & identifiers
- Preferred name
- 5-[4-Cyano-2-(2-phenylethynyl)phenyl]hydantoin
- IUPAC
- 4-(2,5-dioxoimidazolidin-4-yl)-3-(2-phenylethynyl)benzonitrile
Names & synonyms
SCHEMBL7392675AWYHVGYMWAPXQC-UHFFFAOYSA-N5-[4-cyano-2-(2-phenylethynyl)phenyl]hydantoin
Database identifiers
- PubChem CID
- 70076578
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 599
Related reactions
3 records
Compound notes
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