TL;DR: 1-Benzyl-4,7-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-e][1,4]diazepine-5,8-dione (CAS 119584-66-6) is a chemical compound with molecular formula C15H16N4O2 and molecular weight 284.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-4,7-dimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
Also Known As: PDSP1_001142, PDSP2_001126, NCI60_008024, 1-Benzyl-4,7-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-e][1,4]diazepine-5,8-dione, 1-benzyl-4,7-dimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
| Molecular Formula | C15H16N4O2 |
| Molecular Weight | 284.12732 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.12732 Da |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
| SMILES | CN1CC(=O)N(C2=C(C1=O)N(C=N2)CC3=CC=CC=C3)C |
| InChIKey | STFRRLZKHLYUIY-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4,7-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-e][1,4]diazepine-5,8-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 1-Benzyl-4,7-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-e][1,4]diazepine-5,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4,7-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-e][1,4]diazepine-5,8-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Benzyl-4,7-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-e][1,4]diazepine-5,8-dione is 119584-66-6.
The molecular formula of 1-Benzyl-4,7-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-e][1,4]diazepine-5,8-dione is C15H16N4O2.
The molecular weight of 1-Benzyl-4,7-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-e][1,4]diazepine-5,8-dione is 284.12732 g/mol.
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