HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 46889870Generated: November 3, 2026
4-[3-(4-Aminophenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile
https://huagongshe.com/en/chemical/46889870
Identifiers & Physical Properties
| Molecular formula | C19H15F3N4OS |
|---|
| Average molar mass | 404.4 g/mol |
|---|
| Monoisotopic mass | 404.09186677 g/mol |
|---|
| SMILES | CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(N)cc1 |
|---|
| InChIKey | NDRACGJTCXVHMJ-UHFFFAOYSA-N |
|---|
| PubChem CID | 46889870 |
|---|
| ChEMBL | CHEMBL1086118 |
|---|
Chemical & Physical Properties
| XLogP | 3.5 |
|---|
| Topological polar surface area | 105 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 28 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 693 |
|---|
![4-[3-(4-Aminophenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile molecular structure](/img/chemical/46889870.png)