2-(2-Ethyl-5-methyl-7-trifluoromethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl-10,11-dihydro-5H-dibenzo[b,f]azepine
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Basic information
- Standard SMILES
CCc1nc2c(C(F)(F)F)cc(C)nc2n1Cc1ccc2c(c1)CCc1ccccc1N2- InChIKey
NDFNXXZMAHMBNQ-UHFFFAOYSA-N- Molecular formula
- C25H23F3N4
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 2-(2-Ethyl-5-methyl-7-trifluoromethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl-10,11-dihydro-5H-dibenzo[b,f]azepine
- IUPAC
- 3-[[2-ethyl-5-methyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine
Names & synonyms
2-(2-Ethyl-5-methyl-7-trifluoromethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl-10,11-dihydro-5H-dibenzo[b,f]azepineSCHEMBL4362894
Database identifiers
- PubChem CID
- 69016874
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 643
Related reactions
1 records
Compound notes
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