Basic information
- CAS
136779-92-5- Standard SMILES
C[C@H]1Cn2c(=O)[nH]c3cccc(c32)CN1CC1CC1- InChIKey
SWKYSCYHMCRSNH-JTQLQIEISA-N- Molecular formula
- C15H19N3O
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.15281224
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-
- IUPAC
- (11S)-10-(cyclopropylmethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
136779-92-5Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-cyclopropylmethyl(methyl)[?]oneImidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-SCHEMBL9526261CHEMBL1094610DTXSID20159928(5S)-6-(Cyclopropylmethyl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Database identifiers
- CAS
136779-92-5- PubChem CID
- 453576
- DTXSID
DTXSID20159928- ChEMBL
CHEMBL1094610- Nikkaji
- J449.418K
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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