About 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium (PubChem CID 2315220) has the molecular formula C26H25N2+
and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium.
Molecular Properties
| Compound Name | 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium |
| PubChem CID | 2315220 |
| Molecular Formula | C26H25N2+ |
| Molecular Weight | 365.50 g/mol |
| Exact Mass | 365.20 |
| IUPAC Name | 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium |
| SMILES | CC(C)c1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)cc1 |
| InChI | InChI=1S/C26H25N2/c1-19(2)20-12-15-23(16-13-20)28-25(21-8-4-3-5-9-21)18-27-24-11-7-6-10-22(24)14-17-26(27)28/h3-13,15-16,18-19H,14,17H2,1-2H3/q+1 |
| InChIKey | GUXRNCAQTWASOC-UHFFFAOYSA-N |
| XLogP | 5.64 |
| TPSA | 8.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 28 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 365.50 |
| LogP ≤ 5 | 5.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The IUPAC name of 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium (CID 2315220) is 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium.
What is the SMILES notation for 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The canonical SMILES for 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium is CC(C)c1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)cc1.
What is the InChIKey of 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The InChIKey is GUXRNCAQTWASOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2/c1-19(2)20-12-15-23(16-13-20)28-25(21-8-4-3-5-9-21)18-27-24-11-7-6-10-22(24)14-17-26(27)28/h3-13,15-16,18-19H,14,17H2,1-2H3/q+1.
What are the key properties of 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium has a molecular weight of 365.50 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium is sourced from PubChem (CID 2315220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).