1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole

C16H16N2O2S2 — CID 2148561

IUPAC1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccccc1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C16H16N2O2S2/c19-22(20,15-9-5-2-6-10-15)18-12-11-17-16(18)21-13-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyLBTHINNXZFBFIC-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.98
Rot. Bonds4

About 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole

1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole (PubChem CID 2148561) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole
PubChem CID2148561
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccccc1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C16H16N2O2S2/c19-22(20,15-9-5-2-6-10-15)18-12-11-17-16(18)21-13-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyLBTHINNXZFBFIC-UHFFFAOYSA-N
XLogP2.98
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole (CID 2148561) is 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole is O=S(=O)(c1ccccc1)N1CCN=C1SCc1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole?
The InChIKey is LBTHINNXZFBFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c19-22(20,15-9-5-2-6-10-15)18-12-11-17-16(18)21-13-14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole?
1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole has a molecular weight of 332.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-benzylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).