Basic information
- CAS
47029-84-5- Standard SMILES
OC(C1=NCCN1)(c1ccc(Cl)cc1)c1ccccn1- InChIKey
DITYEPYMBCHKLF-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3O
- Average molar mass
- 287.74 g/mol
- Monoisotopic mass
- 287.0825398
Names & identifiers
- Preferred name
- Dazadrol
- IUPAC
- (4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyridin-2-ylmethanol
- English name
- dazadrol
- Molecular formula
- C15H14ClN3O
- Molecular weight
- 287.749
Names & synonyms
Dazadrol47029-84-5Dazadrol [INN](4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyridin-2-ylmethanolalpha-(p-Chlorophenyl)-alpha-2-imidazolin-2-yl-2-pyridinemethanol9U27285V5RDazadrolumDazadrolum [INN-Latin]UNII-9U27285V5REINECS 256-292-7orb2814944SCHEMBL2110858
Show more names
DAZADROL(WXG02278)2-Pyridinemethanol, α-(4-chlorophenyl)-α-(4,5-dihydro-1H-imidazol-2-yl)-
CHEMBL2110607DTXSID60866124DITYEPYMBCHKLF-UHFFFAOYSA-N(4-Chlorophenyl)(4,5-dihydro-1H-imidazol-2-yl)(pyridin-2-yl)methanol2-Pyridinemethanol, .alpha.-(4-chlorophenyl)-.alpha.-(4,5-dihydro-1H-imidazol-2-yl)-NS00058163T202767Q27273221
Database identifiers
- CAS
47029-84-5- PubChem CID
- 32940
- DTXSID
DTXSID60866124- ChEMBL
CHEMBL2110607- UNII
- 9U27285V5R
- EC Number
- 256-292-7
- Nikkaji
- J16.567K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 529.7 · 529.7±50.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 9.79 · 9.79±0.29(Predicted)
- FDA UNII
- 9 U27285V5R · 9U27285V5R
Chemistry & industry
Applications
UsesAntidepressant.
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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