2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole

C12H16N2O2S2 — CID 2148559

IUPAC2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C12H16N2O2S2/c1-2-18(15,16)14-9-8-13-12(14)17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyPEITVKCCQLRSGN-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.94
Rot. Bonds4

About 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole

2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148559) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole
PubChem CID2148559
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C12H16N2O2S2/c1-2-18(15,16)14-9-8-13-12(14)17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyPEITVKCCQLRSGN-UHFFFAOYSA-N
XLogP1.94
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole (CID 2148559) is 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole is CCS(=O)(=O)N1CCN=C1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole?
The InChIKey is PEITVKCCQLRSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-2-18(15,16)14-9-8-13-12(14)17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole?
2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole has a molecular weight of 284.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-ethylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).