6-(2-Bromopropen-3-yl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
Basic information
- CAS
141114-20-7- Standard SMILES
C=C(Br)CN1Cc2cccc3[nH]c(=O)n(c23)CC1C- InChIKey
WMHRHEFZPVTXLJ-UHFFFAOYSA-N- Molecular formula
- C14H16BrN3O
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 321.04767
Names & identifiers
- Preferred name
- 6-(2-Bromopropen-3-yl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
- IUPAC
- 10-(2-bromoprop-2-enyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
141114-20-76-(2-Bromopropen-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, 6-(2-bromo-2-propenyl)-4,5,6,7-tetrahydro-5-methyl-2-bromoallyl(methyl)[?]oneCHEMBL351957SCHEMBL7904426DTXSID80930992(+/-)-6-(2-Bromopropen-3-yl)-4,5,6,7-tetrahydro-5-methylimidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one6-(2-Bromoprop-2-en-1-yl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
Database identifiers
- CAS
141114-20-7- PubChem CID
- 452835
- DTXSID
DTXSID80930992- ChEMBL
CHEMBL351957- Nikkaji
- J374.300D
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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