1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole

C12H16N2O2S2 — CID 22335023

IUPAC1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCCc1ccc(S(=O)(=O)N2CCN=C2SC)cc1
InChIInChI=1S/C12H16N2O2S2/c1-3-10-4-6-11(7-5-10)18(15,16)14-9-8-13-12(14)17-2/h4-7H,3,8-9H2,1-2H3
InChIKeyHDBWYESPIAUPNH-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.97
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole

1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 22335023) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID22335023
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCCc1ccc(S(=O)(=O)N2CCN=C2SC)cc1
InChIInChI=1S/C12H16N2O2S2/c1-3-10-4-6-11(7-5-10)18(15,16)14-9-8-13-12(14)17-2/h4-7H,3,8-9H2,1-2H3
InChIKeyHDBWYESPIAUPNH-UHFFFAOYSA-N
XLogP1.97
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
CID 2148553
1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole
CID 53071989
4-[1-(4-ethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]morpholine
CID 53072028
1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 3526602
2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
CID 2148578
1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148839
2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
CID 2148732
1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole
CID 2148605
1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148836
1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148722
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148840

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 22335023) is 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is CCc1ccc(S(=O)(=O)N2CCN=C2SC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is HDBWYESPIAUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-3-10-4-6-11(7-5-10)18(15,16)14-9-8-13-12(14)17-2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 284.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 22335023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).