2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole

C11H13FN2O2S2 — CID 2148587

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole
SMILESCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2S2/c1-18(15,16)14-7-6-13-11(14)17-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyVJHVAQGYXWXXDS-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.69
Rot. Bonds3

About 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole

2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148587) has the molecular formula C11H13FN2O2S2 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole
PubChem CID2148587
Molecular FormulaC11H13FN2O2S2
Molecular Weight288.37 g/mol
Exact Mass288.04
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole
SMILESCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2S2/c1-18(15,16)14-7-6-13-11(14)17-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyVJHVAQGYXWXXDS-UHFFFAOYSA-N
XLogP1.69
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole (CID 2148587) is 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole is CS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole?
The InChIKey is VJHVAQGYXWXXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S2/c1-18(15,16)14-7-6-13-11(14)17-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole?
2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole has a molecular weight of 288.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).