2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine

C23H16N2S — CID 72696946

IUPAC2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine
SMILESc1ccc(Sc2c(-c3cccc4ccccc34)nc3ccccn23)cc1
InChIInChI=1S/C23H16N2S/c1-2-11-18(12-3-1)26-23-22(24-21-15-6-7-16-25(21)23)20-14-8-10-17-9-4-5-13-19(17)20/h1-16H
InChIKeyVZBLMNYBCVLIBF-UHFFFAOYSA-N
MW352.46 g/mol
LogP6.31
Rot. Bonds3

About 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine

2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine (PubChem CID 72696946) has the molecular formula C23H16N2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine
PubChem CID72696946
Molecular FormulaC23H16N2S
Molecular Weight352.46 g/mol
Exact Mass352.10
IUPAC Name2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine
SMILESc1ccc(Sc2c(-c3cccc4ccccc34)nc3ccccn23)cc1
InChIInChI=1S/C23H16N2S/c1-2-11-18(12-3-1)26-23-22(24-21-15-6-7-16-25(21)23)20-14-8-10-17-9-4-5-13-19(17)20/h1-16H
InChIKeyVZBLMNYBCVLIBF-UHFFFAOYSA-N
XLogP6.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine (CID 72696946) is 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine is c1ccc(Sc2c(-c3cccc4ccccc34)nc3ccccn23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine?
The InChIKey is VZBLMNYBCVLIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2S/c1-2-11-18(12-3-1)26-23-22(24-21-15-6-7-16-25(21)23)20-14-8-10-17-9-4-5-13-19(17)20/h1-16H.
What are the key properties of 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine?
2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine has a molecular weight of 352.46 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3-phenylsulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 72696946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).