TL;DR: 3a-(4-(2-oxo-2-phenylacetyl)phenyl)-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione (CAS 121400-87-1) is a chemical compound with molecular formula C24H18N4O4 and molecular weight 426.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3a-[4-(2-oxo-2-phenylacetyl)phenyl]-6a-phenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Also Known As: 3a-(4-(2-oxo-2-phenylacetyl)phenyl)-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 3a-[4-(2-oxo-2-phenylacetyl)phenyl]-6a-phenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione, 3a-{4-[oxo(phenyl)acetyl]phenyl}-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
| Molecular Formula | C24H18N4O4 |
| Molecular Weight | 426.1328 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.1328 Da |
| Heavy Atoms | 32 |
| Complexity | 772.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C34C(NC(=O)N3)(NC(=O)N4)C5=CC=CC=C5 |
| InChIKey | JGNSQMYEUVMAEK-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a-(4-(2-oxo-2-phenylacetyl)phenyl)-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a-(4-(2-oxo-2-phenylacetyl)phenyl)-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione. Following Lipinski's Rule of Five, 3a-(4-(2-oxo-2-phenylacetyl)phenyl)-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3a-(4-(2-oxo-2-phenylacetyl)phenyl)-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione is 121400-87-1.
The molecular formula of 3a-(4-(2-oxo-2-phenylacetyl)phenyl)-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione is C24H18N4O4.
The molecular weight of 3a-(4-(2-oxo-2-phenylacetyl)phenyl)-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione is 426.1328 g/mol.
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