HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Butyl-5-(hydroxymethyl)-4-(1H-pyrrol-1-yl)imidazole
Identifiers & Physical Properties
| Molecular formula | C12H17N3O |
|---|---|
| Average molar mass | 219.28 g/mol |
| Monoisotopic mass | 219.13716217 g/mol |
| SMILES | CCCCc1nc(-n2cccc2)c(CO)[nH]1 |
| InChIKey | AUCFNRKSVWIRKT-UHFFFAOYSA-N |
| PubChem CID | 19106901 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 53.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 206 |