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

C12H15FN2O2S2 — CID 2148588

IUPAC1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2S2/c1-2-19(16,17)15-8-7-14-12(15)18-9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyWYFVELCMGGDHDN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.08
Rot. Bonds4

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

1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 2148588) has the molecular formula C12H15FN2O2S2 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
PubChem CID2148588
Molecular FormulaC12H15FN2O2S2
Molecular Weight302.40 g/mol
Exact Mass302.06
IUPAC Name1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2S2/c1-2-19(16,17)15-8-7-14-12(15)18-9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyWYFVELCMGGDHDN-UHFFFAOYSA-N
XLogP2.08
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole (CID 2148588) is 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole is CCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1.
What is the InChIKey of 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is WYFVELCMGGDHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S2/c1-2-19(16,17)15-8-7-14-12(15)18-9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 302.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 2148588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).