2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide

C16H17BrN2S — CID 12004643

IUPAC2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide
SMILESBr.CCCSc1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C16H16N2S.BrH/c1-2-10-19-14-8-9-16-17-15(12-18(16)11-14)13-6-4-3-5-7-13;/h3-9,11-12H,2,10H2,1H3;1H
InChIKeyTUOMZGMNXIYWPW-UHFFFAOYSA-N
MW349.30 g/mol
LogP5.08
Rot. Bonds4

About 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide

2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide (PubChem CID 12004643) has the molecular formula C16H17BrN2S and a molecular weight of 349.30 g/mol. Its IUPAC name is 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide.

Molecular Properties

Compound Name2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide
PubChem CID12004643
Molecular FormulaC16H17BrN2S
Molecular Weight349.30 g/mol
Exact Mass348.03
IUPAC Name2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide
SMILESBr.CCCSc1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C16H16N2S.BrH/c1-2-10-19-14-8-9-16-17-15(12-18(16)11-14)13-6-4-3-5-7-13;/h3-9,11-12H,2,10H2,1H3;1H
InChIKeyTUOMZGMNXIYWPW-UHFFFAOYSA-N
XLogP5.08
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.30
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide?
The IUPAC name of 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide (CID 12004643) is 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide.
What is the SMILES notation for 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide?
The canonical SMILES for 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide is Br.CCCSc1ccc2nc(-c3ccccc3)cn2c1.
What is the InChIKey of 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide?
The InChIKey is TUOMZGMNXIYWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S.BrH/c1-2-10-19-14-8-9-16-17-15(12-18(16)11-14)13-6-4-3-5-7-13;/h3-9,11-12H,2,10H2,1H3;1H.
What are the key properties of 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide?
2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide has a molecular weight of 349.30 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine;hydrobromide is sourced from PubChem (CID 12004643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).