2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione

C18H15N3O2S — CID 155931744

IUPAC2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCSc1cnc2ccccn12
InChIInChI=1S/C18H15N3O2S/c22-17-13-6-1-2-7-14(13)18(23)21(17)10-5-11-24-16-12-19-15-8-3-4-9-20(15)16/h1-4,6-9,12H,5,10-11H2
InChIKeyVVYAIOVOQCYVSB-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.11
Rot. Bonds5

About 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione

2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione (PubChem CID 155931744) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione
PubChem CID155931744
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCSc1cnc2ccccn12
InChIInChI=1S/C18H15N3O2S/c22-17-13-6-1-2-7-14(13)18(23)21(17)10-5-11-24-16-12-19-15-8-3-4-9-20(15)16/h1-4,6-9,12H,5,10-11H2
InChIKeyVVYAIOVOQCYVSB-UHFFFAOYSA-N
XLogP3.11
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione (CID 155931744) is 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCSc1cnc2ccccn12.
What is the InChIKey of 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione?
The InChIKey is VVYAIOVOQCYVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-17-13-6-1-2-7-14(13)18(23)21(17)10-5-11-24-16-12-19-15-8-3-4-9-20(15)16/h1-4,6-9,12H,5,10-11H2.
What are the key properties of 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione?
2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione has a molecular weight of 337.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazo[1,2-a]pyridin-3-ylsulfanylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 155931744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).