2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione

C21H16N2O2 — CID 168516332

IUPAC2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccn1
InChIInChI=1S/C21H16N2O2/c24-20-17-9-2-3-10-18(17)21(25)23(20)19-11-4-1-7-15(19)12-13-16-8-5-6-14-22-16/h1-11,14H,12-13H2
InChIKeyXMILCPGKUPJIMG-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.67
Rot. Bonds4

About 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione

2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione (PubChem CID 168516332) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione
PubChem CID168516332
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccn1
InChIInChI=1S/C21H16N2O2/c24-20-17-9-2-3-10-18(17)21(25)23(20)19-11-4-1-7-15(19)12-13-16-8-5-6-14-22-16/h1-11,14H,12-13H2
InChIKeyXMILCPGKUPJIMG-UHFFFAOYSA-N
XLogP3.67
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]phenyl]isoindole-1,3-dione
CID 14459105
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294
3-[2-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
CID 70566223
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
2-(2-hexylphenyl)isoindole-1,3-dione
CID 10638446
3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide
CID 168517550
2-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-1,3-dione
CID 168519794
2-pyrimidin-2-ylisoindole-1,3-dione
CID 660266
2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
CID 45075115
5-bromo-2-(2-propylphenyl)isoindole-1,3-dione
CID 86154964
2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 154728853
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione (CID 168516332) is 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccn1.
What is the InChIKey of 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione?
The InChIKey is XMILCPGKUPJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20-17-9-2-3-10-18(17)21(25)23(20)19-11-4-1-7-15(19)12-13-16-8-5-6-14-22-16/h1-11,14H,12-13H2.
What are the key properties of 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione?
2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione has a molecular weight of 328.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).