6-Ethyl-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one

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Basic information

CAS: 126233-84-9
Standard SMILES: CCN1Cc2cccc3[nH]c(=O)n(c23)CC1C
InChIKey: LEFYUOGSTYLUJI-UHFFFAOYSA-N
Molecular formula: C13H17N3O
Average molar mass: 231.29 g/mol
Monoisotopic mass: 231.13716217

Names & identifiers

Preferred name: 6-Ethyl-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
IUPAC: 10-ethyl-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one

Names & synonyms

126233-84-96-Ethyl-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-ethyl-4,5,6,7-tetrahydro-5-methyl-CHEMBL162224DTXSID30925454(+/-)-6-Ethyl-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one6-Ethyl-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol

Database identifiers

CAS: 126233-84-9
PubChem CID: 452822
DTXSID: DTXSID30925454
ChEMBL: CHEMBL162224
Nikkaji: J374.285G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 35.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 320

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