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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
CID 2148578
2-methyl-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
CID 16761146
1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148722
1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148836
1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole
CID 2148605
1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148840
1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
CID 2148737
1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 22335023
2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene
CID 54552474
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]naphthalene-2-sulfonamide
CID 4273930
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722

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).