5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole

C11H12F2N2O2S — CID 2302831

IUPAC5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole
SMILESCCn1c(C)nc2cc(S(=O)(=O)C(F)F)ccc21
InChIInChI=1S/C11H12F2N2O2S/c1-3-15-7(2)14-9-6-8(4-5-10(9)15)18(16,17)11(12)13/h4-6,11H,3H2,1-2H3
InChIKeyKIEBAVVBHJODDZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.36
Rot. Bonds3

About 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole

5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole (PubChem CID 2302831) has the molecular formula C11H12F2N2O2S and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole.

Molecular Properties

Compound Name5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole
PubChem CID2302831
Molecular FormulaC11H12F2N2O2S
Molecular Weight274.29 g/mol
Exact Mass274.06
IUPAC Name5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole
SMILESCCn1c(C)nc2cc(S(=O)(=O)C(F)F)ccc21
InChIInChI=1S/C11H12F2N2O2S/c1-3-15-7(2)14-9-6-8(4-5-10(9)15)18(16,17)11(12)13/h4-6,11H,3H2,1-2H3
InChIKeyKIEBAVVBHJODDZ-UHFFFAOYSA-N
XLogP2.36
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole?
The IUPAC name of 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole (CID 2302831) is 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole.
What is the SMILES notation for 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole?
The canonical SMILES for 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole is CCn1c(C)nc2cc(S(=O)(=O)C(F)F)ccc21.
What is the InChIKey of 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole?
The InChIKey is KIEBAVVBHJODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2S/c1-3-15-7(2)14-9-6-8(4-5-10(9)15)18(16,17)11(12)13/h4-6,11H,3H2,1-2H3.
What are the key properties of 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole?
5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole has a molecular weight of 274.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole is sourced from PubChem (CID 2302831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).