About 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine
1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine (PubChem CID 106558725) has the molecular formula C14H16FN3
and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine.
Molecular Properties
| Compound Name | 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine |
| PubChem CID | 106558725 |
| Molecular Formula | C14H16FN3 |
| Molecular Weight | 245.30 g/mol |
| Exact Mass | 245.13 |
| IUPAC Name | 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine |
| SMILES | Fc1ccc(Nc2nccn2C2CCCC2)cc1 |
| InChI | InChI=1S/C14H16FN3/c15-11-5-7-12(8-6-11)17-14-16-9-10-18(14)13-3-1-2-4-13/h5-10,13H,1-4H2,(H,16,17) |
| InChIKey | RWQVBUHIEMVMGC-UHFFFAOYSA-N |
| XLogP | 3.88 |
| TPSA | 29.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 245.30 |
| LogP ≤ 5 | 3.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine (CID 106558725) is 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine is Fc1ccc(Nc2nccn2C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine?
The InChIKey is RWQVBUHIEMVMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-11-5-7-12(8-6-11)17-14-16-9-10-18(14)13-3-1-2-4-13/h5-10,13H,1-4H2,(H,16,17).
What are the key properties of 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine?
1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine has a molecular weight of 245.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106558725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).