Basic information
- CAS
136723-02-9- Standard SMILES
CCCN1Cc2cccc3c2n(c(=O)n3C)CC1C- InChIKey
QDJGCXRXODAGOI-UHFFFAOYSA-N- Molecular formula
- C15H21N3O
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.1684623
Names & identifiers
- Preferred name
- (+-)-4,5,6,7-Tetrahydro-1,5-dimethyl-6-propylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
- IUPAC
- 3,11-dimethyl-10-propyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
136723-02-9(+-)-4,5,6,7-Tetrahydro-1,5-dimethyl-6-propylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-oneImidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-1,5-dimethyl-6-propyl-(+-)-4,5,6,7-Tetrahydro-1,5-dimethyl-6-propylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-oneImidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-1,5-dimethyl-6-propyl-CHEMBL109025DTXSID609295261,5-Dimethyl-6-propyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Database identifiers
- CAS
136723-02-9- PubChem CID
- 453603
- DTXSID
DTXSID60929526- ChEMBL
CHEMBL109025- Nikkaji
- J449.410E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…