2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole

C17H17FN2O2S2 — CID 2148578

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2S2/c1-13-5-7-16(8-6-13)24(21,22)20-10-9-19-17(20)23-12-14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyXIDIXBGEWHDDAQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.43
Rot. Bonds4

About 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole

2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 2148578) has the molecular formula C17H17FN2O2S2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID2148578
Molecular FormulaC17H17FN2O2S2
Molecular Weight364.47 g/mol
Exact Mass364.07
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2S2/c1-13-5-7-16(8-6-13)24(21,22)20-10-9-19-17(20)23-12-14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyXIDIXBGEWHDDAQ-UHFFFAOYSA-N
XLogP3.43
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
CID 2148558
2-((4-fluorobenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148587
2-((4-fluorobenzyl)thio)-1-(propylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148589
1-Methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
CID 3398784
1-Ethylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
CID 4322898
1-[(4-methylphenyl)sulfonyl]-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 731318
2-(benzylthio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148561
1-(4-Bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148580
2-((2-chloro-6-fluorobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole
CID 2148677
1-(Benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148724
1-((4-fluorophenyl)sulfonyl)-2-((1-phenylethyl)thio)-4,5-dihydro-1H-imidazole
CID 5227246
2-(benzylthio)-1-(ethylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148559

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole (CID 2148578) is 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole is Cc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is XIDIXBGEWHDDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S2/c1-13-5-7-16(8-6-13)24(21,22)20-10-9-19-17(20)23-12-14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 364.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).