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

C21H20N2O2S2 — CID 2148732

IUPAC2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
SMILESCc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O2S2/c1-16-6-8-17(9-7-16)15-26-21-22-12-13-23(21)27(24,25)20-11-10-18-4-2-3-5-19(18)14-20/h2-11,14H,12-13,15H2,1H3
InChIKeyQCIJDFHBYZTBRT-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.44
Rot. Bonds4

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

2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148732) has the molecular formula C21H20N2O2S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
PubChem CID2148732
Molecular FormulaC21H20N2O2S2
Molecular Weight396.54 g/mol
Exact Mass396.10
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
SMILESCc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O2S2/c1-16-6-8-17(9-7-16)15-26-21-22-12-13-23(21)27(24,25)20-11-10-18-4-2-3-5-19(18)14-20/h2-11,14H,12-13,15H2,1H3
InChIKeyQCIJDFHBYZTBRT-UHFFFAOYSA-N
XLogP4.44
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole (CID 2148732) is 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole is Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole?
The InChIKey is QCIJDFHBYZTBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S2/c1-16-6-8-17(9-7-16)15-26-21-22-12-13-23(21)27(24,25)20-11-10-18-4-2-3-5-19(18)14-20/h2-11,14H,12-13,15H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole?
2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole has a molecular weight of 396.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).