6-(2-Phenylpropen-3-yl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
Basic information
- CAS
131515-12-3- Standard SMILES
C=C(CN1Cc2cccc3[nH]c(=O)n(c23)CC1C)c1ccccc1- InChIKey
ZVKBBTVDGWBBOO-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.1684623
Names & identifiers
- Preferred name
- 6-(2-Phenylpropen-3-yl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
- IUPAC
- 11-methyl-10-(2-phenylprop-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
131515-12-36-(2-Phenylpropen-3-yl)-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-phenyl-2-propenyl)-, (1)-6-(2-Phenylpropen-3-yl)-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-phenyl-2-propenyl)-, (1)-methyl(2-phenylallyl)[?]oneCHEMBL165661DTXSID609272445-Methyl-6-(2-phenylprop-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
Database identifiers
- CAS
131515-12-3- PubChem CID
- 452844
- DTXSID
DTXSID60927244- ChEMBL
CHEMBL165661- Nikkaji
- J374.311J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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