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

C17H20N2O2 — CID 70874393

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)C1CCOCC1
InChIInChI=1S/C17H20N2O2/c20-17(12-5-7-21-8-6-12)9-15-13-3-1-2-4-14(13)16-10-18-11-19(15)16/h1-4,10-12,15,17,20H,5-9H2
InChIKeyJXTJKNFGBORUEK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.63
Rot. Bonds3

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

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol (PubChem CID 70874393) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
PubChem CID70874393
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)C1CCOCC1
InChIInChI=1S/C17H20N2O2/c20-17(12-5-7-21-8-6-12)9-15-13-3-1-2-4-14(13)16-10-18-11-19(15)16/h1-4,10-12,15,17,20H,5-9H2
InChIKeyJXTJKNFGBORUEK-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol (CID 70874393) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol is OC(CC1c2ccccc2-c2cncn21)C1CCOCC1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol?
The InChIKey is JXTJKNFGBORUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(12-5-7-21-8-6-12)9-15-13-3-1-2-4-14(13)16-10-18-11-19(15)16/h1-4,10-12,15,17,20H,5-9H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol has a molecular weight of 284.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 70874393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).