2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol

C11H12F2N2O3S — CID 71857015

IUPAC2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C11H12F2N2O3S/c12-11(13)15-9-4-2-1-3-8(9)14-10(15)7-19(17,18)6-5-16/h1-4,11,16H,5-7H2
InChIKeySRQXGFBUWCQDLU-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.34
Rot. Bonds5

About 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol

2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol (PubChem CID 71857015) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol
PubChem CID71857015
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C11H12F2N2O3S/c12-11(13)15-9-4-2-1-3-8(9)14-10(15)7-19(17,18)6-5-16/h1-4,11,16H,5-7H2
InChIKeySRQXGFBUWCQDLU-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol?
The IUPAC name of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol (CID 71857015) is 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol.
What is the SMILES notation for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol?
The canonical SMILES for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol is O=S(=O)(CCO)Cc1nc2ccccc2n1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol?
The InChIKey is SRQXGFBUWCQDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-11(13)15-9-4-2-1-3-8(9)14-10(15)7-19(17,18)6-5-16/h1-4,11,16H,5-7H2.
What are the key properties of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol?
2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol has a molecular weight of 290.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfonyl]ethanol is sourced from PubChem (CID 71857015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).