5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole

C19H24N2O2 — CID 130455678

IUPAC5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole
SMILESCOC(CC1c2c(C)cccc2-c2cncn21)C1CCOCC1
InChIInChI=1S/C19H24N2O2/c1-13-4-3-5-15-17-11-20-12-21(17)16(19(13)15)10-18(22-2)14-6-8-23-9-7-14/h3-5,11-12,14,16,18H,6-10H2,1-2H3
InChIKeyJMEKWHIELHFEEX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.59
Rot. Bonds4

About 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole

5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole (PubChem CID 130455678) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole
PubChem CID130455678
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole
SMILESCOC(CC1c2c(C)cccc2-c2cncn21)C1CCOCC1
InChIInChI=1S/C19H24N2O2/c1-13-4-3-5-15-17-11-20-12-21(17)16(19(13)15)10-18(22-2)14-6-8-23-9-7-14/h3-5,11-12,14,16,18H,6-10H2,1-2H3
InChIKeyJMEKWHIELHFEEX-UHFFFAOYSA-N
XLogP3.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
CID 145029711
1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 123582838
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-[4-(4-dimethoxyphosphorylphenyl)cyclohexyl]-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 134257817
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339
1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone
CID 135172858
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] 2-phenylacetate
CID 157186673
5-(2-cyclohex-3-en-1-yl-2-nitrosoethyl)-6-fluoro-5H-imidazo[5,1-a]isoindole
CID 121322086
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874445
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 70874209
(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 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole (CID 130455678) is 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole is COC(CC1c2c(C)cccc2-c2cncn21)C1CCOCC1.
What is the InChIKey of 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole?
The InChIKey is JMEKWHIELHFEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-4-3-5-15-17-11-20-12-21(17)16(19(13)15)10-18(22-2)14-6-8-23-9-7-14/h3-5,11-12,14,16,18H,6-10H2,1-2H3.
What are the key properties of 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole?
5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole has a molecular weight of 312.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 130455678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).