TL;DR: R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one (CAS 126233-81-6) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(11R)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: methyl[?]one, R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, (11R)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one, [5R,(-)]-4,5,6,7-Tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.10587 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.10587 Da |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
| SMILES | C[C@@H]1CN2C3=C(CN1)C=CC=C3NC2=O |
| InChIKey | GTNCOIIPIKEYMW-SSDOTTSWSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one. With a topological polar surface area (TPSA) of 44.4 Ų, R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one is 126233-81-6.
The molecular formula of R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one is C11H13N3O.
The molecular weight of R-(-)-4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one is 203.10587 g/mol.
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