2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide

C16H16BrN2S- — CID 53347346

IUPAC2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide
SMILESCCCSc1ccc2nc(-c3ccccc3)cn2c1.[Br-]
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/p-1
InChIKeyTUOMZGMNXIYWPW-UHFFFAOYSA-M
MW348.29 g/mol
LogP1.51
Rot. Bonds4

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

2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide (PubChem CID 53347346) has the molecular formula C16H16BrN2S- and a molecular weight of 348.29 g/mol. Its IUPAC name is 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide.

Molecular Properties

Compound Name2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide
PubChem CID53347346
Molecular FormulaC16H16BrN2S-
Molecular Weight348.29 g/mol
Exact Mass347.02
IUPAC Name2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide
SMILESCCCSc1ccc2nc(-c3ccccc3)cn2c1.[Br-]
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/p-1
InChIKeyTUOMZGMNXIYWPW-UHFFFAOYSA-M
XLogP1.51
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide?
The IUPAC name of 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide (CID 53347346) is 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide.
What is the SMILES notation for 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide?
The canonical SMILES for 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide is CCCSc1ccc2nc(-c3ccccc3)cn2c1.[Br-].
What is the InChIKey of 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide?
The InChIKey is TUOMZGMNXIYWPW-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide?
2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide has a molecular weight of 348.29 g/mol, XLogP of 1.51, 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 bromide is sourced from PubChem (CID 53347346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).