2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole

C5H8F2N2S — CID 57223205

IUPAC2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESFC(F)SCC1=NCCN1
InChIInChI=1S/C5H8F2N2S/c6-5(7)10-3-4-8-1-2-9-4/h5H,1-3H2,(H,8,9)
InChIKeyOGNFUMSDRZHTRL-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.94
Rot. Bonds3

About 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole

2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 57223205) has the molecular formula C5H8F2N2S and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID57223205
Molecular FormulaC5H8F2N2S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESFC(F)SCC1=NCCN1
InChIInChI=1S/C5H8F2N2S/c6-5(7)10-3-4-8-1-2-9-4/h5H,1-3H2,(H,8,9)
InChIKeyOGNFUMSDRZHTRL-UHFFFAOYSA-N
XLogP0.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole (CID 57223205) is 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole is FC(F)SCC1=NCCN1.
What is the InChIKey of 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is OGNFUMSDRZHTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2S/c6-5(7)10-3-4-8-1-2-9-4/h5H,1-3H2,(H,8,9).
What are the key properties of 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 166.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57223205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).