Basic information
- CAS
136722-73-1- Standard SMILES
CC(C)=CCN1Cc2cc(Cl)cc3[nH]c(=O)n(c23)C[C@H]1C- InChIKey
FRCNLKVXRALXMC-LLVKDONJSA-N- Molecular formula
- C16H20ClN3O
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.12949
Names & identifiers
- Preferred name
- R-(-)-4,5,6,7-Tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
- IUPAC
- (11R)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
136722-73-1R-(-)-4,5,6,7-Tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-oneImidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (R)-(5r)-9-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-olImidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (R)-R-(-)-4,5,6,7-Tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo[4,5,1-jk][1,4]-benzodiazepin-2(1H)-onechloro-methyl-(3-methylbut-2-enyl)[?]oneCHEMBL168006DTXSID309295189-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
Database identifiers
- CAS
136722-73-1- PubChem CID
- 469375
- DTXSID
DTXSID30929518- ChEMBL
CHEMBL168006- Nikkaji
- J449.427J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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