2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol

C17H15N3O — CID 66558811

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1ccncc1
InChIInChI=1S/C17H15N3O/c21-17(12-5-7-18-8-6-12)9-15-13-3-1-2-4-14(13)16-10-19-11-20(15)16/h1-8,10-11,15,17,21H,9H2
InChIKeyRLYSBDKKQFJXQY-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.97
Rot. Bonds3

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

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol (PubChem CID 66558811) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol
PubChem CID66558811
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1ccncc1
InChIInChI=1S/C17H15N3O/c21-17(12-5-7-18-8-6-12)9-15-13-3-1-2-4-14(13)16-10-19-11-20(15)16/h1-8,10-11,15,17,21H,9H2
InChIKeyRLYSBDKKQFJXQY-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.97
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-pyridin-4-ylethanol?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol (CID 66558811) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol is OC(CC1c2ccccc2-c2cncn21)c1ccncc1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol?
The InChIKey is RLYSBDKKQFJXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(12-5-7-18-8-6-12)9-15-13-3-1-2-4-14(13)16-10-19-11-20(15)16/h1-8,10-11,15,17,21H,9H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-4-ylethanol has a molecular weight of 277.33 g/mol, XLogP of 2.97, 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-pyridin-4-ylethanol is sourced from PubChem (CID 66558811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).