About 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine (PubChem CID 106559903) has the molecular formula C16H15N3O
and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine.
Molecular Properties
| Compound Name | 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine |
| PubChem CID | 106559903 |
| Molecular Formula | C16H15N3O |
| Molecular Weight | 265.32 g/mol |
| Exact Mass | 265.12 |
| IUPAC Name | 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine |
| SMILES | COc1cccc(-n2ccnc2Nc2ccccc2)c1 |
| InChI | InChI=1S/C16H15N3O/c1-20-15-9-5-8-14(12-15)19-11-10-17-16(19)18-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18) |
| InChIKey | YDLGFOOIXGIULB-UHFFFAOYSA-N |
| XLogP | 3.62 |
| TPSA | 39.08 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 265.32 |
| LogP ≤ 5 | 3.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine (CID 106559903) is 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine is COc1cccc(-n2ccnc2Nc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine?
The InChIKey is YDLGFOOIXGIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-15-9-5-8-14(12-15)19-11-10-17-16(19)18-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18).
What are the key properties of 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine?
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine has a molecular weight of 265.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106559903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).