5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole

C14H17FN2OS — CID 134183906

IUPAC5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole
SMILESCSC(C)c1c(F)cccc1OCc1cncn1C
InChIInChI=1S/C14H17FN2OS/c1-10(19-3)14-12(15)5-4-6-13(14)18-8-11-7-16-9-17(11)2/h4-7,9-10H,8H2,1-3H3
InChIKeyUAAVCMXWXWCOJE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.56
Rot. Bonds5

About 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole

5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole (PubChem CID 134183906) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole
PubChem CID134183906
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole
SMILESCSC(C)c1c(F)cccc1OCc1cncn1C
InChIInChI=1S/C14H17FN2OS/c1-10(19-3)14-12(15)5-4-6-13(14)18-8-11-7-16-9-17(11)2/h4-7,9-10H,8H2,1-3H3
InChIKeyUAAVCMXWXWCOJE-UHFFFAOYSA-N
XLogP3.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole?
The IUPAC name of 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole (CID 134183906) is 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole.
What is the SMILES notation for 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole?
The canonical SMILES for 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole is CSC(C)c1c(F)cccc1OCc1cncn1C.
What is the InChIKey of 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole?
The InChIKey is UAAVCMXWXWCOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-10(19-3)14-12(15)5-4-6-13(14)18-8-11-7-16-9-17(11)2/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole?
5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole has a molecular weight of 280.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-2-(1-methylsulfanylethyl)phenoxy]methyl]-1-methylimidazole is sourced from PubChem (CID 134183906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).