5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole

C8H13BrN2S — CID 117190849

IUPAC5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole
SMILESCCSc1ncc(Br)n1C(C)C
InChIInChI=1S/C8H13BrN2S/c1-4-12-8-10-5-7(9)11(8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyGFBSMLCXSOBJBI-UHFFFAOYSA-N
MW249.18 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole

5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole (PubChem CID 117190849) has the molecular formula C8H13BrN2S and a molecular weight of 249.18 g/mol. Its IUPAC name is 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole
PubChem CID117190849
Molecular FormulaC8H13BrN2S
Molecular Weight249.18 g/mol
Exact Mass248.00
IUPAC Name5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole
SMILESCCSc1ncc(Br)n1C(C)C
InChIInChI=1S/C8H13BrN2S/c1-4-12-8-10-5-7(9)11(8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyGFBSMLCXSOBJBI-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole?
The IUPAC name of 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole (CID 117190849) is 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole.
What is the SMILES notation for 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole?
The canonical SMILES for 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole is CCSc1ncc(Br)n1C(C)C.
What is the InChIKey of 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole?
The InChIKey is GFBSMLCXSOBJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2S/c1-4-12-8-10-5-7(9)11(8)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole?
5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole has a molecular weight of 249.18 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117190849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).