1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole

C18H20N2O2S2 — CID 2148605

IUPAC1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S2/c1-14-8-10-17(11-9-14)24(21,22)20-13-12-19-18(20)23-15(2)16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyDAXHBRIFQZHSFA-HNNXBMFYSA-N
MW360.50 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole

1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole (PubChem CID 2148605) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole
PubChem CID2148605
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S2/c1-14-8-10-17(11-9-14)24(21,22)20-13-12-19-18(20)23-15(2)16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyDAXHBRIFQZHSFA-HNNXBMFYSA-N
XLogP3.85
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
CID 2148578
2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
CID 2148732
1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148836
1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 22335023
1,3-bis-(4-methylphenyl)sulfonyl-5-[(1R)-1-phenylethyl]-1,3,5-triazinane
CID 155931567
1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
CID 2148737
3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 154713489
1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148722
1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine
CID 154721453
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one
CID 10248904
2-methyl-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
CID 16761146

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole (CID 2148605) is 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole is Cc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole?
The InChIKey is DAXHBRIFQZHSFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-14-8-10-17(11-9-14)24(21,22)20-13-12-19-18(20)23-15(2)16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole?
1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole has a molecular weight of 360.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).