6-(2-Methylpropyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
Basic information
- CAS
126262-72-4- Standard SMILES
CC(C)CN1Cc2cccc3[nH]c(=O)n(c23)CC1C- InChIKey
BBQFLZBMPBVODN-UHFFFAOYSA-N- Molecular formula
- C15H21N3O
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.1684623
Names & identifiers
- Preferred name
- 6-(2-Methylpropyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
- IUPAC
- 11-methyl-10-(2-methylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
126262-72-46-(2-Methylpropyl)-4,5,6,7-tetrahydro-5-methylimidazo(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-5-methyl-6-(2-methylpropyl)-CHEMBL163918DTXSID809254845-Methyl-6-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol(+/-)-6-(2-Methylpropyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Database identifiers
- CAS
126262-72-4- PubChem CID
- 452830
- DTXSID
DTXSID80925484- ChEMBL
CHEMBL163918- Nikkaji
- J374.294F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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