1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one

C13H16N2O — CID 12955657

IUPAC1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
SMILESCC1(C)NC(=O)N2CCc3ccccc3C21
InChIInChI=1S/C13H16N2O/c1-13(2)11-10-6-4-3-5-9(10)7-8-15(11)12(16)14-13/h3-6,11H,7-8H2,1-2H3,(H,14,16)
InChIKeyWJAHWTZCCPVAEI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.09
Rot. Bonds

About 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one

1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one (PubChem CID 12955657) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
PubChem CID12955657
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
SMILESCC1(C)NC(=O)N2CCc3ccccc3C21
InChIInChI=1S/C13H16N2O/c1-13(2)11-10-6-4-3-5-9(10)7-8-15(11)12(16)14-13/h3-6,11H,7-8H2,1-2H3,(H,14,16)
InChIKeyWJAHWTZCCPVAEI-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one with MolForge

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Related Compounds

2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
1-(2-Methylbenzyl)imidazolidin-2-one
CID 3241808
3-(1-Benzylpiperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 11718536
1,1-Dimethyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
CID 16125325
1-Benzyl-1-methyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125470
2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 4072352
1-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-1-methylurea
CID 14107047
1,1-Dimethyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125257
3-(1-Methyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125443
3-(1-Phenylethyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125505
Benzyl-dimethyl-[2-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-ethyl]-ammonium
CID 16125533
Trimethyl-[2-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-ethyl]-ammonium
CID 16125535

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one?
The IUPAC name of 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one (CID 12955657) is 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one.
What is the SMILES notation for 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one?
The canonical SMILES for 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one is CC1(C)NC(=O)N2CCc3ccccc3C21.
What is the InChIKey of 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one?
The InChIKey is WJAHWTZCCPVAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2)11-10-6-4-3-5-9(10)7-8-15(11)12(16)14-13/h3-6,11H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one?
1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one has a molecular weight of 216.28 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one is sourced from PubChem (CID 12955657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).