5-m-Chlorophenyl-2,3-dihydro-5H-imidazo(2,1-a)isoindol-5-ol
Basic information
- CAS
27097-43-4- Standard SMILES
OC1(c2cccc(Cl)c2)c2ccccc2C2=NCCN21- InChIKey
OYWHYTUIHQDEED-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0716407
Names & identifiers
- Preferred name
- 5-m-Chlorophenyl-2,3-dihydro-5H-imidazo(2,1-a)isoindol-5-ol
- IUPAC
- 5-(3-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
- English name
- 5-(3-Chlorophenyl)-2,3-dihydro-5H-imidazo[2,1-a]isoindole-5-ol
- Molecular formula
- C16H13ClN2O
- Molecular weight
- 284.74
Names & synonyms
27097-43-4CHEMBL132241BRN 07558825-m-Chlorophenyl-2,3-dihydro-5H-imidazo(2,1-a)isoindol-5-ol5-(3-chlorophenyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol5H-Imidazo(2,1-a)isoindol-5-ol, 5-(3-chlorophenyl)-2,3-dihydro-DTXSID10949855BDBM500550265-(3-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol5-(3-Chlorophenyl)-2,3-dihydro-5H-imidazo[2,1-a]isoindole-5-ol3H-Imidazo[2,1-a]isoindol-5-ol, 5-(3-chlorophenyl)-2,5-dihydro-
Database identifiers
- CAS
27097-43-4- PubChem CID
- 213818
- DTXSID
DTXSID10949855- ChEMBL
CHEMBL132241- Nikkaji
- J49.303A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
LogP1.85
Physicochemical properties
- Melting point
- 208 · 208-210 °C(Solv: methanol (67-56-1))
- Boiling point
- 465.9 · 465.9±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 9.76 · 9.76±0.20(Predicted)
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Compound notes
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