About N-(4-fluorophenyl)imidazole-1-carboxamide
N-(4-fluorophenyl)imidazole-1-carboxamide (PubChem CID 3028800) has the molecular formula C10H8FN3O
and a molecular weight of 205.19 g/mol. Its IUPAC name is N-(4-fluorophenyl)imidazole-1-carboxamide.
Molecular Properties
| Compound Name | N-(4-fluorophenyl)imidazole-1-carboxamide |
| PubChem CID | 3028800 |
| Molecular Formula | C10H8FN3O |
| Molecular Weight | 205.19 g/mol |
| Exact Mass | 205.07 |
| IUPAC Name | N-(4-fluorophenyl)imidazole-1-carboxamide |
| SMILES | O=C(Nc1ccc(F)cc1)n1ccnc1 |
| InChI | InChI=1S/C10H8FN3O/c11-8-1-3-9(4-2-8)13-10(15)14-6-5-12-7-14/h1-7H,(H,13,15) |
| InChIKey | UXDLDIRPORKSKZ-UHFFFAOYSA-N |
| XLogP | 2.10 |
| TPSA | 46.92 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 205.19 |
| LogP ≤ 5 | 2.10 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-fluorophenyl)imidazole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)imidazole-1-carboxamide (CID 3028800) is N-(4-fluorophenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)imidazole-1-carboxamide is O=C(Nc1ccc(F)cc1)n1ccnc1.
What is the InChIKey of N-(4-fluorophenyl)imidazole-1-carboxamide?
The InChIKey is UXDLDIRPORKSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-8-1-3-9(4-2-8)13-10(15)14-6-5-12-7-14/h1-7H,(H,13,15).
What are the key properties of N-(4-fluorophenyl)imidazole-1-carboxamide?
N-(4-fluorophenyl)imidazole-1-carboxamide has a molecular weight of 205.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 3028800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).