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

C13H18N2O2S2 — CID 2148722

IUPAC1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1CCN=C1SCc1ccc(C)cc1
InChIInChI=1S/C13H18N2O2S2/c1-3-19(16,17)15-9-8-14-13(15)18-10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyHRCXIXIYJSXJQK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.25
Rot. Bonds4

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

1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 2148722) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
PubChem CID2148722
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Name1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1CCN=C1SCc1ccc(C)cc1
InChIInChI=1S/C13H18N2O2S2/c1-3-19(16,17)15-9-8-14-13(15)18-10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyHRCXIXIYJSXJQK-UHFFFAOYSA-N
XLogP2.25
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.25
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-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole (CID 2148722) is 1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole is CCS(=O)(=O)N1CCN=C1SCc1ccc(C)cc1.
What is the InChIKey of 1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is HRCXIXIYJSXJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-3-19(16,17)15-9-8-14-13(15)18-10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 298.43 g/mol, XLogP of 2.25, 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-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 2148722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).