ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate

C11H15F3N2O5S — CID 162739775

IUPACethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OCC(F)(F)F)n(C)c1S(=O)(=O)CC
InChIInChI=1S/C11H15F3N2O5S/c1-4-20-9(17)7-8(22(18,19)5-2)16(3)10(15-7)21-6-11(12,13)14/h4-6H2,1-3H3
InChIKeyOVOUAFWQCSJICL-UHFFFAOYSA-N
MW344.31 g/mol
LogP1.33
Rot. Bonds6

About ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate

ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate (PubChem CID 162739775) has the molecular formula C11H15F3N2O5S and a molecular weight of 344.31 g/mol. Its IUPAC name is ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate
PubChem CID162739775
Molecular FormulaC11H15F3N2O5S
Molecular Weight344.31 g/mol
Exact Mass344.07
IUPAC Nameethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OCC(F)(F)F)n(C)c1S(=O)(=O)CC
InChIInChI=1S/C11H15F3N2O5S/c1-4-20-9(17)7-8(22(18,19)5-2)16(3)10(15-7)21-6-11(12,13)14/h4-6H2,1-3H3
InChIKeyOVOUAFWQCSJICL-UHFFFAOYSA-N
XLogP1.33
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine
CID 175418648
ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
CID 165178177
ethyl 2-[[4-methyl-5-oxo-3-(2,2,2-trifluoroethoxy)-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoate
CID 23295713
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
CID 165178169
ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 122508431
ethyl 5-iodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 135222439
ethyl 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxylate
CID 129248575
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 53418332
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate
CID 165460552

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate (CID 162739775) is ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate is CCOC(=O)c1nc(OCC(F)(F)F)n(C)c1S(=O)(=O)CC.
What is the InChIKey of ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate?
The InChIKey is OVOUAFWQCSJICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O5S/c1-4-20-9(17)7-8(22(18,19)5-2)16(3)10(15-7)21-6-11(12,13)14/h4-6H2,1-3H3.
What are the key properties of ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate?
ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate has a molecular weight of 344.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate is sourced from PubChem (CID 162739775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).