2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride
C19H17Cl2N3 — CID 141258750
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride
2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride (PubChem CID 141258750) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride.
Molecular Properties
| Compound Name | 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride |
|---|---|
| PubChem CID | 141258750 |
| Molecular Formula | C19H17Cl2N3 |
| Molecular Weight | 358.27 g/mol |
| Exact Mass | 357.08 |
| IUPAC Name | 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride |
| SMILES | Cc1nccn1-c1ccccc1-c1ccc2ccccc2n1.Cl.Cl |
| InChI | InChI=1S/C19H15N3.2ClH/c1-14-20-12-13-22(14)19-9-5-3-7-16(19)18-11-10-15-6-2-4-8-17(15)21-18;;/h2-13H,1H3;2*1H |
| InChIKey | MJKSGSQKEPEONI-UHFFFAOYSA-N |
| XLogP | 5.24 |
| TPSA | 30.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|---|
| MW ≤ 500 | 358.27 |
| LogP ≤ 5 | 5.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Frequently Asked Questions
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Sources
- PubChem CID 141258750 — identifiers, structure, computed properties (public domain)
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