5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole

C12H14F2N2O2S — CID 106731638

IUPAC5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole
SMILESCC(C)S(=O)(=O)CCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N2O2S/c1-8(2)19(17,18)4-3-16-7-15-11-5-9(13)10(14)6-12(11)16/h5-8H,3-4H2,1-2H3
InChIKeyWVIIHXBXIBNJFK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.14
Rot. Bonds4

About 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole

5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole (PubChem CID 106731638) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole
PubChem CID106731638
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole
SMILESCC(C)S(=O)(=O)CCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N2O2S/c1-8(2)19(17,18)4-3-16-7-15-11-5-9(13)10(14)6-12(11)16/h5-8H,3-4H2,1-2H3
InChIKeyWVIIHXBXIBNJFK-UHFFFAOYSA-N
XLogP2.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole?
The IUPAC name of 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole (CID 106731638) is 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole?
The canonical SMILES for 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole is CC(C)S(=O)(=O)CCn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole?
The InChIKey is WVIIHXBXIBNJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c1-8(2)19(17,18)4-3-16-7-15-11-5-9(13)10(14)6-12(11)16/h5-8H,3-4H2,1-2H3.
What are the key properties of 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole?
5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole has a molecular weight of 288.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole is sourced from PubChem (CID 106731638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).