1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole

C8H11F3N2OS — CID 146552717

IUPAC1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole
SMILESCSCCOCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2OS/c1-15-3-2-14-6-13-4-7(12-5-13)8(9,10)11/h4-5H,2-3,6H2,1H3
InChIKeyIWUIIPKWJGMNLC-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.24
Rot. Bonds5

About 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole

1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole (PubChem CID 146552717) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole
PubChem CID146552717
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole
SMILESCSCCOCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2OS/c1-15-3-2-14-6-13-4-7(12-5-13)8(9,10)11/h4-5H,2-3,6H2,1H3
InChIKeyIWUIIPKWJGMNLC-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole (CID 146552717) is 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole is CSCCOCn1cnc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole?
The InChIKey is IWUIIPKWJGMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-15-3-2-14-6-13-4-7(12-5-13)8(9,10)11/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole?
1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole has a molecular weight of 240.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 146552717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).