(+-)-4,5,6,7-Tetrahydro-1-allyl-5-methyl-6-propylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
Basic information
- CAS
136723-04-1- Standard SMILES
C=CCn1c(=O)n2c3c(cccc31)CN(CCC)C(C)C2- InChIKey
PTAMADXZQDBKRB-UHFFFAOYSA-N- Molecular formula
- C17H23N3O
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.18411237
Names & identifiers
- Preferred name
- (+-)-4,5,6,7-Tetrahydro-1-allyl-5-methyl-6-propylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
- IUPAC
- 11-methyl-3-prop-2-enyl-10-propyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
136723-04-1(+-)-4,5,6,7-Tetrahydro-1-allyl-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-(2-propenyl)-6-propyl-(+-)-4,5,6,7-Tetrahydro-1-allyl-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-(2-propenyl)-6-propyl-allyl-methyl-propyl-[?]oneCHEMBL108890DTXSID809295285-Methyl-1-(prop-2-en-1-yl)-6-propyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Database identifiers
- CAS
136723-04-1- PubChem CID
- 453605
- DTXSID
DTXSID80929528- ChEMBL
CHEMBL108890- Nikkaji
- J449.412A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
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Compound notes
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