Basic information
- CAS
136723-03-0- Standard SMILES
CCCN1Cc2cccc3c2n(c(=O)n3C(C)C)CC1C- InChIKey
SUHLWLBRKBZCOM-UHFFFAOYSA-N- Molecular formula
- C17H25N3O
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.19976243
Names & identifiers
- Preferred name
- (+-)-4,5,6,7-Tetrahydro-1-isopropyl-5-methyl-6-propylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
- IUPAC
- 11-methyl-3-propan-2-yl-10-propyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
136723-03-0(+-)-4,5,6,7-Tetrahydro-1-isopropyl-5-methyl-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-5-methyl-1-(1-methylethyl)-6-propyl-(+-)-4,5,6,7-Tetrahydro-1-isopropyl-5-methyl-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-5-methyl-1-(1-methylethyl)-6-propyl-CHEMBL323952isopropyl-methyl-propyl-[?]oneDTXSID209295275-Methyl-1-(propan-2-yl)-6-propyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Database identifiers
- CAS
136723-03-0- PubChem CID
- 453604
- DTXSID
DTXSID20929527- ChEMBL
CHEMBL323952- Nikkaji
- J449.411C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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