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

C17H20N2O — CID 70874391

IUPAC1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)C1CCCC1
InChIInChI=1S/C17H20N2O/c20-17(12-5-1-2-6-12)9-15-13-7-3-4-8-14(13)16-10-18-11-19(15)16/h3-4,7-8,10-12,15,17,20H,1-2,5-6,9H2
InChIKeyMTNKITWGIJLVJD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.39
Rot. Bonds3

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

1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 70874391) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID70874391
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)C1CCCC1
InChIInChI=1S/C17H20N2O/c20-17(12-5-1-2-6-12)9-15-13-7-3-4-8-14(13)16-10-18-11-19(15)16/h3-4,7-8,10-12,15,17,20H,1-2,5-6,9H2
InChIKeyMTNKITWGIJLVJD-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 70874391) is 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is OC(CC1c2ccccc2-c2cncn21)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is MTNKITWGIJLVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(12-5-1-2-6-12)9-15-13-7-3-4-8-14(13)16-10-18-11-19(15)16/h3-4,7-8,10-12,15,17,20H,1-2,5-6,9H2.
What are the key properties of 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 268.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 70874391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).