5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

C17H15FN2O — CID 2818477

IUPAC5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESOC1(c2ccc(F)cc2)Cc2ccccc2C2=NCCN21
InChIInChI=1S/C17H15FN2O/c18-14-7-5-13(6-8-14)17(21)11-12-3-1-2-4-15(12)16-19-9-10-20(16)17/h1-8,21H,9-11H2
InChIKeyASAXCWFAAMUWMC-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.29
Rot. Bonds1

About 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (PubChem CID 2818477) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
PubChem CID2818477
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESOC1(c2ccc(F)cc2)Cc2ccccc2C2=NCCN21
InChIInChI=1S/C17H15FN2O/c18-14-7-5-13(6-8-14)17(21)11-12-3-1-2-4-15(12)16-19-9-10-20(16)17/h1-8,21H,9-11H2
InChIKeyASAXCWFAAMUWMC-UHFFFAOYSA-N
XLogP2.29
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The IUPAC name of 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (CID 2818477) is 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.
What is the SMILES notation for 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The canonical SMILES for 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is OC1(c2ccc(F)cc2)Cc2ccccc2C2=NCCN21.
What is the InChIKey of 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The InChIKey is ASAXCWFAAMUWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-14-7-5-13(6-8-14)17(21)11-12-3-1-2-4-15(12)16-19-9-10-20(16)17/h1-8,21H,9-11H2.
What are the key properties of 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol has a molecular weight of 282.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is sourced from PubChem (CID 2818477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).