6-(1H-Imidazol-2-yl-methyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
Basic information
- CAS
131514-96-0- Standard SMILES
CC1Cn2c(=O)[nH]c3cccc(c32)CN1Cc1ncc[nH]1- InChIKey
QTJXBADMBCWUHP-UHFFFAOYSA-N- Molecular formula
- C15H17N5O
- Average molar mass
- 283.33 g/mol
- Monoisotopic mass
- 283.14331018
Names & identifiers
- Preferred name
- 6-(1H-Imidazol-2-yl-methyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
- IUPAC
- 10-(1H-imidazol-2-ylmethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
131514-96-07-((1H-Imidazol-2-yl)methyl)-8-methyl-6,7,8,9-tetrahydro-2,7,9a-triazabenzo[cd]azulen-1(2H)-one6-(1H-Imidazol-2-yl-methyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-oneCHEMBL351528DTXSID509272381H-imidazol-2-ylmethyl(methyl)[?]oneImidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-6-(1H-imidazol-2-ylmethyl)-5-methyl-(+/-)-6-(1H-Imidazol-2-yl-methyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one6-[(1H-Imidazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
Database identifiers
- CAS
131514-96-0- PubChem CID
- 452828
- DTXSID
DTXSID50927238- ChEMBL
CHEMBL351528- Nikkaji
- J374.291A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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