Basic information
- CAS
42116-77-8- Standard SMILES
c1ccc(C2CN=C3NCCN32)cc1- InChIKey
VVLJQSJNPKNTAT-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
Names & identifiers
- Preferred name
- Deximafen
- IUPAC
- 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
- English name
- IMAFEN
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
DeximafenImafen42116-77-859198-18-4Racemic Imafen5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazoleImafen [INN]60719-87-1Imafen, (-)-A7C289N0LK43S5D07K8G5-phenyl-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidine
Show more names
D00974Deximafen (usan/inn)
1V5135S169DeximafeneDeximafeno53361-23-21H-Imidazo(1,2-a)imidazole, 2,3,5,6-tetrahydro-3-phenyl-, (+)-1H-Imidazo(1,2-a)imidazole, 2,3,5,6-tetrahydro-3-phenyl-, (-)-1H-Imidazo(1,2-a)imidazole, 2,3,5,6-tetrahydro-5-(or-3)-phenyl-, (+)-53361-26-5
Database identifiers
- CAS
42116-77-8、53361-26-5、59198-18-4- PubChem CID
- 163316
- ChEMBL
CHEMBL2104276、CHEMBL3707296- UNII
- 1V5135S169、43S5D07K8G、A7C289N0LK
- Nikkaji
- J10.668B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 315.5 · 315.5±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 9.68 · 9.68±0.70(Predicted)
- FDA UNII
- 1 V5135S169 · 1V5135S169
Chemistry & industry
Applications
UsesAntidepressant.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
7 records
Compound notes
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