C15H15N3O — CID 115572847
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol (PubChem CID 115572847) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol.
| Compound Name | 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol |
|---|---|
| PubChem CID | 115572847 |
| Molecular Formula | C15H15N3O |
| Molecular Weight | 253.31 g/mol |
| Exact Mass | 253.12 |
| IUPAC Name | 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol |
| SMILES | Oc1ccc(CNCc2cn3ccccc3n2)cc1 |
| InChI | InChI=1S/C15H15N3O/c19-14-6-4-12(5-7-14)9-16-10-13-11-18-8-2-1-3-15(18)17-13/h1-8,11,16,19H,9-10H2 |
| InChIKey | QTPJPANPEOPGLH-UHFFFAOYSA-N |
| XLogP | 2.33 |
| TPSA | 49.56 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 253.31 |
| LogP ≤ 5 | 2.33 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |