1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone

C19H20N2O — CID 4297604

IUPAC1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone
SMILESCC(=O)N1CC2c3ccccc3CCN2C1c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(22)21-13-18-17-10-6-5-7-15(17)11-12-20(18)19(21)16-8-3-2-4-9-16/h2-10,18-19H,11-13H2,1H3
InChIKeyCXYABMLZUZJIQY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.15
Rot. Bonds1

About 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone

1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone (PubChem CID 4297604) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone
PubChem CID4297604
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone
SMILESCC(=O)N1CC2c3ccccc3CCN2C1c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(22)21-13-18-17-10-6-5-7-15(17)11-12-20(18)19(21)16-8-3-2-4-9-16/h2-10,18-19H,11-13H2,1H3
InChIKeyCXYABMLZUZJIQY-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone?
The IUPAC name of 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone (CID 4297604) is 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone?
The canonical SMILES for 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone is CC(=O)N1CC2c3ccccc3CCN2C1c1ccccc1.
What is the InChIKey of 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone?
The InChIKey is CXYABMLZUZJIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(22)21-13-18-17-10-6-5-7-15(17)11-12-20(18)19(21)16-8-3-2-4-9-16/h2-10,18-19H,11-13H2,1H3.
What are the key properties of 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone?
1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl)ethanone is sourced from PubChem (CID 4297604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).