5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole

C5H9FN2S — CID 134202148

IUPAC5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCC(F)N1C
InChIInChI=1S/C5H9FN2S/c1-8-4(6)3-7-5(8)9-2/h4H,3H2,1-2H3
InChIKeyIWIICDXWICRWIA-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.95
Rot. Bonds

About 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole

5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 134202148) has the molecular formula C5H9FN2S and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID134202148
Molecular FormulaC5H9FN2S
Molecular Weight148.21 g/mol
Exact Mass148.05
IUPAC Name5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCC(F)N1C
InChIInChI=1S/C5H9FN2S/c1-8-4(6)3-7-5(8)9-2/h4H,3H2,1-2H3
InChIKeyIWIICDXWICRWIA-UHFFFAOYSA-N
XLogP0.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 134202148) is 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NCC(F)N1C.
What is the InChIKey of 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is IWIICDXWICRWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2S/c1-8-4(6)3-7-5(8)9-2/h4H,3H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole?
5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 148.21 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 134202148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).