2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole

C7H9F3N2S — CID 144946193

IUPAC2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole
SMILESCCc1nc(SC(F)(F)F)cn1C
InChIInChI=1S/C7H9F3N2S/c1-3-5-11-6(4-12(5)2)13-7(8,9)10/h4H,3H2,1-2H3
InChIKeyMECPGXVYKIOKSB-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.59
Rot. Bonds2

About 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole

2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole (PubChem CID 144946193) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole
PubChem CID144946193
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole
SMILESCCc1nc(SC(F)(F)F)cn1C
InChIInChI=1S/C7H9F3N2S/c1-3-5-11-6(4-12(5)2)13-7(8,9)10/h4H,3H2,1-2H3
InChIKeyMECPGXVYKIOKSB-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole?
The IUPAC name of 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole (CID 144946193) is 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole.
What is the SMILES notation for 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole?
The canonical SMILES for 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole is CCc1nc(SC(F)(F)F)cn1C.
What is the InChIKey of 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole?
The InChIKey is MECPGXVYKIOKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-3-5-11-6(4-12(5)2)13-7(8,9)10/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole?
2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole has a molecular weight of 210.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole is sourced from PubChem (CID 144946193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).