About 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine (PubChem CID 79505259) has the molecular formula C15H21N3
and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine.
Molecular Properties
| Compound Name | 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine |
| PubChem CID | 79505259 |
| Molecular Formula | C15H21N3 |
| Molecular Weight | 243.35 g/mol |
| Exact Mass | 243.17 |
| IUPAC Name | 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine |
| SMILES | CCC1(C2CC2)CN=C(N)N1c1ccccc1C |
| InChI | InChI=1S/C15H21N3/c1-3-15(12-8-9-12)10-17-14(16)18(15)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H2,16,17) |
| InChIKey | MRTXDSGBZPOUDP-UHFFFAOYSA-N |
| XLogP | 2.69 |
| TPSA | 41.62 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 | 243.35 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine (CID 79505259) is 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine is CCC1(C2CC2)CN=C(N)N1c1ccccc1C.
What is the InChIKey of 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The InChIKey is MRTXDSGBZPOUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-15(12-8-9-12)10-17-14(16)18(15)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79505259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).