1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole

C12H16N2O2S2 — CID 3398784

IUPAC1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
SMILESCC(SC1=NCCN1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H16N2O2S2/c1-10(11-6-4-3-5-7-11)17-12-13-8-9-14(12)18(2,15)16/h3-7,10H,8-9H2,1-2H3
InChIKeyFDKDRJICPRNFOL-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.11
Rot. Bonds3

About 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole

1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole (PubChem CID 3398784) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
PubChem CID3398784
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
SMILESCC(SC1=NCCN1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H16N2O2S2/c1-10(11-6-4-3-5-7-11)17-12-13-8-9-14(12)18(2,15)16/h3-7,10H,8-9H2,1-2H3
InChIKeyFDKDRJICPRNFOL-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole?
The IUPAC name of 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole (CID 3398784) is 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole is CC(SC1=NCCN1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole?
The InChIKey is FDKDRJICPRNFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-10(11-6-4-3-5-7-11)17-12-13-8-9-14(12)18(2,15)16/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole?
1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole has a molecular weight of 284.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole is sourced from PubChem (CID 3398784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).