6-(1-Cyclohexenylmethyl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
Basic information
- CAS
131515-13-4- Standard SMILES
CC1Cn2c(=O)[nH]c3cccc(c32)CN1CC1=CCCCC1- InChIKey
NTTISRXMLYQVIC-UHFFFAOYSA-N- Molecular formula
- C18H23N3O
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.18411237
Names & identifiers
- Preferred name
- 6-(1-Cyclohexenylmethyl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
- IUPAC
- 10-(cyclohexen-1-ylmethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
131515-13-46-(1-Cyclohexenylmethyl)-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-(1-cyclohexen-1-ylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (1)-6-(1-Cyclohexenylmethyl)-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-(1-cyclohexen-1-ylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (1)-CHEMBL351163DTXSID20927245cyclohexen-1-ylmethyl(methyl)[?]one6-[(Cyclohex-1-en-1-yl)methyl]-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
Database identifiers
- CAS
131515-13-4- PubChem CID
- 452845
- DTXSID
DTXSID20927245- ChEMBL
CHEMBL351163- Nikkaji
- J374.312H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
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Compound notes
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