About 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol (PubChem CID 95120357) has the molecular formula C22H19N3O
and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol.
Molecular Properties
| Compound Name | 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol |
| PubChem CID | 95120357 |
| Molecular Formula | C22H19N3O |
| Molecular Weight | 341.41 g/mol |
| Exact Mass | 341.15 |
| IUPAC Name | 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol |
| SMILES | C[C@H](c1ccc(O)cc1)n1cnc(-c2ccccc2)c1-c1cccnc1 |
| InChI | InChI=1S/C22H19N3O/c1-16(17-9-11-20(26)12-10-17)25-15-24-21(18-6-3-2-4-7-18)22(25)19-8-5-13-23-14-19/h2-16,26H,1H3/t16-/m1/s1 |
| InChIKey | MBWXXIDDTCFBRH-MRXNPFEDSA-N |
| XLogP | 4.93 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 341.41 |
| LogP ≤ 5 | 4.93 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol?
The IUPAC name of 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol (CID 95120357) is 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol?
The canonical SMILES for 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol is C[C@H](c1ccc(O)cc1)n1cnc(-c2ccccc2)c1-c1cccnc1.
What is the InChIKey of 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol?
The InChIKey is MBWXXIDDTCFBRH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H19N3O/c1-16(17-9-11-20(26)12-10-17)25-15-24-21(18-6-3-2-4-7-18)22(25)19-8-5-13-23-14-19/h2-16,26H,1H3/t16-/m1/s1.
What are the key properties of 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol?
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol has a molecular weight of 341.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol is sourced from PubChem (CID 95120357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).