About N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine
N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine (PubChem CID 107371346) has the molecular formula C15H11ClFN3
and a molecular weight of 287.73 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine.
Molecular Properties
| Compound Name | N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine |
| PubChem CID | 107371346 |
| Molecular Formula | C15H11ClFN3 |
| Molecular Weight | 287.73 g/mol |
| Exact Mass | 287.06 |
| IUPAC Name | N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine |
| SMILES | Fc1cc(Cl)cc(Nc2nccn2-c2ccccc2)c1 |
| InChI | InChI=1S/C15H11ClFN3/c16-11-8-12(17)10-13(9-11)19-15-18-6-7-20(15)14-4-2-1-3-5-14/h1-10H,(H,18,19) |
| InChIKey | ODNSYKDFQADTBF-UHFFFAOYSA-N |
| XLogP | 4.41 |
| TPSA | 29.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 287.73 |
| LogP ≤ 5 | 4.41 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine (CID 107371346) is N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine is Fc1cc(Cl)cc(Nc2nccn2-c2ccccc2)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine?
The InChIKey is ODNSYKDFQADTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-8-12(17)10-13(9-11)19-15-18-6-7-20(15)14-4-2-1-3-5-14/h1-10H,(H,18,19).
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine?
N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine has a molecular weight of 287.73 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 107371346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).