Basic information
- CAS
3323-25-9- Standard SMILES
CSc1ccc(-c2nc3ccccn3c2CN2CCN(CCO)CC2)cc1- InChIKey
TVHRIUZAQLKZLC-UHFFFAOYSA-N- Molecular formula
- C21H26N4OS
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.18273264
Names & identifiers
- Preferred name
- Imidazo(1,2-a)pyridine, 3-(4-(2-hydroxyethyl)piperazin-1-ylmethyl)-2-(p-methylthiophenyl)-
- IUPAC
- 2-[4-[[2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanol
- English name
- 4-[[2-[p-(Methylthio)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]-1-piperazineethanol
- Molecular formula
- C21H26N4OS
- Molecular weight
- 382.52
Names & synonyms
BRN 0629486Imidazo(1,2-a)pyridine, 3-(4-(2-hydroxyethyl)piperazin-1-ylmethyl)-2-(p-methylthiophenyl)-3323-25-9DTXSID301868811-Piperazineethanol, 4-((2-(p-(methylthio)phenyl)imidazo(1,2-a)pyridin-3-yl)methyl)-3-(4-(2-Hydroxyethyl)piperazin-1-ylmethyl)-2-(p-methylthiophenyl)imidazo(1,2-a)pyridineRefChem:348496DTXCID701093722-[4-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-yl}methyl)piperazin-1-yl]ethan-1-ol4-[[2-[p-(Methylthio)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]-1-piperazineethanol1-Piperazineethanol, 4-[[2-[4-(methylthio)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]-
Database identifiers
- CAS
3323-25-9- PubChem CID
- 201133
- DTXSID
DTXSID30186881- Nikkaji
- J40.963D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 84 · 84-86 °C (decomp)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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