5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole

C15H16N2O — CID 137374520

IUPAC5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
SMILESc1ccc2c(c1)-c1cncn1C2C1CCOCC1
InChIInChI=1S/C15H16N2O/c1-2-4-13-12(3-1)14-9-16-10-17(14)15(13)11-5-7-18-8-6-11/h1-4,9-11,15H,5-8H2
InChIKeyPGXJWDPRFZCTAB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.88
Rot. Bonds1

About 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole

5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole (PubChem CID 137374520) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
PubChem CID137374520
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
SMILESc1ccc2c(c1)-c1cncn1C2C1CCOCC1
InChIInChI=1S/C15H16N2O/c1-2-4-13-12(3-1)14-9-16-10-17(14)15(13)11-5-7-18-8-6-11/h1-4,9-11,15H,5-8H2
InChIKeyPGXJWDPRFZCTAB-UHFFFAOYSA-N
XLogP2.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carbonitrile
CID 137374490
4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
CID 137374425
ethane;5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
CID 145172538
(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
CID 137405834
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137374322
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine
CID 129282635
(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol
CID 137412980
3-(5H-imidazo[5,1-a]isoindol-5-yl)oxepan-4-ol
CID 129282438
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282697

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole (CID 137374520) is 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole is c1ccc2c(c1)-c1cncn1C2C1CCOCC1.
What is the InChIKey of 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is PGXJWDPRFZCTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-4-13-12(3-1)14-9-16-10-17(14)15(13)11-5-7-18-8-6-11/h1-4,9-11,15H,5-8H2.
What are the key properties of 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole?
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole has a molecular weight of 240.31 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 137374520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).