6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine

C14H12Br2N2S2 — CID 501942

IUPAC6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1c(Br)cc(Br)c2ncc(CSCc3cccs3)n12
InChIInChI=1S/C14H12Br2N2S2/c1-9-12(15)5-13(16)14-17-6-10(18(9)14)7-19-8-11-3-2-4-20-11/h2-6H,7-8H2,1H3
InChIKeyKJVUIHWYBYZPDO-UHFFFAOYSA-N
MW432.21 g/mol
LogP5.66
Rot. Bonds4

About 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine

6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 501942) has the molecular formula C14H12Br2N2S2 and a molecular weight of 432.21 g/mol. Its IUPAC name is 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID501942
Molecular FormulaC14H12Br2N2S2
Molecular Weight432.21 g/mol
Exact Mass429.88
IUPAC Name6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1c(Br)cc(Br)c2ncc(CSCc3cccs3)n12
InChIInChI=1S/C14H12Br2N2S2/c1-9-12(15)5-13(16)14-17-6-10(18(9)14)7-19-8-11-3-2-4-20-11/h2-6H,7-8H2,1H3
InChIKeyKJVUIHWYBYZPDO-UHFFFAOYSA-N
XLogP5.66
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.21
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 501942) is 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1c(Br)cc(Br)c2ncc(CSCc3cccs3)n12.
What is the InChIKey of 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is KJVUIHWYBYZPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2S2/c1-9-12(15)5-13(16)14-17-6-10(18(9)14)7-19-8-11-3-2-4-20-11/h2-6H,7-8H2,1H3.
What are the key properties of 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine?
6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 432.21 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 501942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).