1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole

C8H10F6N2O4S2 — CID 161279254

IUPAC1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole
SMILESCCN1C=C(S(=O)(=O)C(F)(F)F)N(C)C1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F6N2O4S2/c1-3-16-4-5(21(17,18)7(9,10)11)15(2)6(16)22(19,20)8(12,13)14/h4,6H,3H2,1-2H3
InChIKeyVEVYQNMJKWUUKH-UHFFFAOYSA-N
MW376.30 g/mol
LogP1.21
Rot. Bonds3

About 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole

1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole (PubChem CID 161279254) has the molecular formula C8H10F6N2O4S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole
PubChem CID161279254
Molecular FormulaC8H10F6N2O4S2
Molecular Weight376.30 g/mol
Exact Mass376.00
IUPAC Name1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole
SMILESCCN1C=C(S(=O)(=O)C(F)(F)F)N(C)C1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F6N2O4S2/c1-3-16-4-5(21(17,18)7(9,10)11)15(2)6(16)22(19,20)8(12,13)14/h4,6H,3H2,1-2H3
InChIKeyVEVYQNMJKWUUKH-UHFFFAOYSA-N
XLogP1.21
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole?
The IUPAC name of 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole (CID 161279254) is 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole?
The canonical SMILES for 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole is CCN1C=C(S(=O)(=O)C(F)(F)F)N(C)C1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole?
The InChIKey is VEVYQNMJKWUUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O4S2/c1-3-16-4-5(21(17,18)7(9,10)11)15(2)6(16)22(19,20)8(12,13)14/h4,6H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole?
1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole has a molecular weight of 376.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)-2H-imidazole is sourced from PubChem (CID 161279254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).