4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol

C15H16N2O2 — CID 129282637

IUPAC4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
SMILESOC1([C@@H]2c3ccccc3-c3cncn32)CCOCC1
InChIInChI=1S/C15H16N2O2/c18-15(5-7-19-8-6-15)14-12-4-2-1-3-11(12)13-9-16-10-17(13)14/h1-4,9-10,14,18H,5-8H2/t14-/m0/s1
InChIKeySWQYOLMIRFCMGN-AWEZNQCLSA-N
MW256.30 g/mol
LogP1.99
Rot. Bonds1

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

4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol (PubChem CID 129282637) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
PubChem CID129282637
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
SMILESOC1([C@@H]2c3ccccc3-c3cncn32)CCOCC1
InChIInChI=1S/C15H16N2O2/c18-15(5-7-19-8-6-15)14-12-4-2-1-3-11(12)13-9-16-10-17(13)14/h1-4,9-10,14,18H,5-8H2/t14-/m0/s1
InChIKeySWQYOLMIRFCMGN-AWEZNQCLSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
CID 157485261
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
CID 129282746
1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol
CID 129282639
(2R,3R)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-oxaspiro[3.5]nonan-3-ol
CID 137405685
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate
CID 129282845
(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol
CID 129283334
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol
CID 137405869
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
CID 175796682
2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one
CID 129296297
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339
(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 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol?
The IUPAC name of 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol (CID 129282637) is 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol.
What is the SMILES notation for 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol?
The canonical SMILES for 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol is OC1([C@@H]2c3ccccc3-c3cncn32)CCOCC1.
What is the InChIKey of 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol?
The InChIKey is SWQYOLMIRFCMGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(5-7-19-8-6-15)14-12-4-2-1-3-11(12)13-9-16-10-17(13)14/h1-4,9-10,14,18H,5-8H2/t14-/m0/s1.
What are the key properties of 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol?
4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol has a molecular weight of 256.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol is sourced from PubChem (CID 129282637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).