5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole

C10H10F2N2S — CID 115578027

IUPAC5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole
SMILESCSCCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C10H10F2N2S/c1-15-3-2-14-6-13-9-4-7(11)8(12)5-10(9)14/h4-6H,2-3H2,1H3
InChIKeyQRVGUWCFBNWPJJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.68
Rot. Bonds3

About 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole

5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole (PubChem CID 115578027) has the molecular formula C10H10F2N2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole
PubChem CID115578027
Molecular FormulaC10H10F2N2S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole
SMILESCSCCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C10H10F2N2S/c1-15-3-2-14-6-13-9-4-7(11)8(12)5-10(9)14/h4-6H,2-3H2,1H3
InChIKeyQRVGUWCFBNWPJJ-UHFFFAOYSA-N
XLogP2.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole?
The IUPAC name of 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole (CID 115578027) is 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole?
The canonical SMILES for 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole is CSCCn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole?
The InChIKey is QRVGUWCFBNWPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2S/c1-15-3-2-14-6-13-9-4-7(11)8(12)5-10(9)14/h4-6H,2-3H2,1H3.
What are the key properties of 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole?
5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole has a molecular weight of 228.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole is sourced from PubChem (CID 115578027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).