3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine

C14H11BrN2S — CID 155931273

IUPAC3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine
SMILESBrc1ccc(CSc2cnc3ccccn23)cc1
InChIInChI=1S/C14H11BrN2S/c15-12-6-4-11(5-7-12)10-18-14-9-16-13-3-1-2-8-17(13)14/h1-9H,10H2
InChIKeyNQDARPOWUPOSDQ-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.39
Rot. Bonds3

About 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine

3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine (PubChem CID 155931273) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine
PubChem CID155931273
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC Name3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine
SMILESBrc1ccc(CSc2cnc3ccccn23)cc1
InChIInChI=1S/C14H11BrN2S/c15-12-6-4-11(5-7-12)10-18-14-9-16-13-3-1-2-8-17(13)14/h1-9H,10H2
InChIKeyNQDARPOWUPOSDQ-UHFFFAOYSA-N
XLogP4.39
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine
CID 154706945
3-(4-bromophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
CID 135045797
2-[(4-bromophenyl)methylsulfanyl]pyrimidine
CID 19727890
3-[(5-bromo-2-pyridinyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 115622316
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
(5-bromo-2-hydroxyphenyl)-imidazo[1,2-a]pyridin-3-ylmethanone
CID 175903607
(5-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone
CID 148877305
[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
3-benzylpyrido[1,2-a]pyrimidin-4-one
CID 142684931
4-[(4-bromophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
CID 27372817
3-[(E)-3-phenylprop-1-enyl]imidazo[1,2-a]pyridine
CID 16741715
2-bromo-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)aniline
CID 115558374

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine (CID 155931273) is 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine is Brc1ccc(CSc2cnc3ccccn23)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine?
The InChIKey is NQDARPOWUPOSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-12-6-4-11(5-7-12)10-18-14-9-16-13-3-1-2-8-17(13)14/h1-9H,10H2.
What are the key properties of 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine?
3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine has a molecular weight of 319.23 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155931273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).