About 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole
2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole (PubChem CID 110538203) has the molecular formula C19H20N2O2
and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole.
Molecular Properties
| Compound Name | 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole |
| PubChem CID | 110538203 |
| Molecular Formula | C19H20N2O2 |
| Molecular Weight | 308.38 g/mol |
| Exact Mass | 308.15 |
| IUPAC Name | 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole |
| SMILES | COc1cccc(-c2nccn2C)c1OCc1cccc(C)c1 |
| InChI | InChI=1S/C19H20N2O2/c1-14-6-4-7-15(12-14)13-23-18-16(8-5-9-17(18)22-3)19-20-10-11-21(19)2/h4-12H,13H2,1-3H3 |
| InChIKey | NEDNMHXQIRVISL-UHFFFAOYSA-N |
| XLogP | 3.98 |
| TPSA | 36.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 308.38 |
| LogP ≤ 5 | 3.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole?
The IUPAC name of 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole (CID 110538203) is 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole.
What is the SMILES notation for 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole?
The canonical SMILES for 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole is COc1cccc(-c2nccn2C)c1OCc1cccc(C)c1.
What is the InChIKey of 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole?
The InChIKey is NEDNMHXQIRVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-6-4-7-15(12-14)13-23-18-16(8-5-9-17(18)22-3)19-20-10-11-21(19)2/h4-12H,13H2,1-3H3.
What are the key properties of 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole?
2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole has a molecular weight of 308.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole is sourced from PubChem (CID 110538203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).