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

C17H18N2O2S2 — CID 2148724

IUPAC1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCc1ccc(CSC2=NCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-14-7-9-15(10-8-14)13-22-17-18-11-12-19(17)23(20,21)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChIKeyYBTGRQVQDJGCQS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.29
Rot. Bonds4

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

1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 2148724) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
PubChem CID2148724
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCc1ccc(CSC2=NCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-14-7-9-15(10-8-14)13-22-17-18-11-12-19(17)23(20,21)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChIKeyYBTGRQVQDJGCQS-UHFFFAOYSA-N
XLogP3.29
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole (CID 2148724) is 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole is Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is YBTGRQVQDJGCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-14-7-9-15(10-8-14)13-22-17-18-11-12-19(17)23(20,21)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 346.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 2148724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).