2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol

C18H22N2O2 — CID 145029711

IUPAC2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
SMILESCc1cccc2c1C(CC(O)C1CCOCC1)n1cncc1-2
InChIInChI=1S/C18H22N2O2/c1-12-3-2-4-14-16-10-19-11-20(16)15(18(12)14)9-17(21)13-5-7-22-8-6-13/h2-4,10-11,13,15,17,21H,5-9H2,1H3
InChIKeyJJGKRRTTYQPPGE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.94
Rot. Bonds3

About 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol

2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol (PubChem CID 145029711) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
PubChem CID145029711
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
SMILESCc1cccc2c1C(CC(O)C1CCOCC1)n1cncc1-2
InChIInChI=1S/C18H22N2O2/c1-12-3-2-4-14-16-10-19-11-20(16)15(18(12)14)9-17(21)13-5-7-22-8-6-13/h2-4,10-11,13,15,17,21H,5-9H2,1H3
InChIKeyJJGKRRTTYQPPGE-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole
CID 130455678
1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen
CID 145029532
1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 123582838
1-[4-(4-dimethoxyphosphorylphenyl)cyclohexyl]-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 134257817
1-(oxan-4-yl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9-tetraen-7-yl)ethanol
CID 142610988
1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone
CID 135172858
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874445
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol
CID 140706352
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 141349404
ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene
CID 145169302
(1S)-1-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-yl]-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 135228938

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol (CID 145029711) is 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol is Cc1cccc2c1C(CC(O)C1CCOCC1)n1cncc1-2.
What is the InChIKey of 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol?
The InChIKey is JJGKRRTTYQPPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-3-2-4-14-16-10-19-11-20(16)15(18(12)14)9-17(21)13-5-7-22-8-6-13/h2-4,10-11,13,15,17,21H,5-9H2,1H3.
What are the key properties of 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol?
2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol has a molecular weight of 298.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 145029711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).