2-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
Basic information
- CAS
85127-90-8- Standard SMILES
C=C(c1ccccc1OCC(O)CNC(C)C)n1cnc(C)c1- InChIKey
LPSXDXCCSPKSIX-UHFFFAOYSA-N- Molecular formula
- C18H25N3O2
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.19467705
Names & identifiers
- Preferred name
- 2-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
- IUPAC
- 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Names & synonyms
BRN 55854483-(Isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol85127-90-82-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-RefChem:265973CHEMBL277319DTXSID9010055351-{2-[1-(4-Methyl-1H-imidazol-1-yl)ethenyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol1-{2-[1-(4-Methyl-1H-imidazol-1-yl)ethen-1-yl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol
Database identifiers
- CAS
85127-90-8- PubChem CID
- 3069765
- DTXSID
DTXSID901005535- ChEMBL
CHEMBL277319
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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