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

C13H17FN2O2S2 — CID 2148576

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C13H17FN2O2S2/c1-2-8-20(17,18)16-7-6-15-13(16)19-10-11-4-3-5-12(14)9-11/h3-5,9H,2,6-8,10H2,1H3
InChIKeyKJKXWYZVYOFLQM-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.47
Rot. Bonds5

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

2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148576) has the molecular formula C13H17FN2O2S2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
PubChem CID2148576
Molecular FormulaC13H17FN2O2S2
Molecular Weight316.42 g/mol
Exact Mass316.07
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C13H17FN2O2S2/c1-2-8-20(17,18)16-7-6-15-13(16)19-10-11-4-3-5-12(14)9-11/h3-5,9H,2,6-8,10H2,1H3
InChIKeyKJKXWYZVYOFLQM-UHFFFAOYSA-N
XLogP2.47
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.47
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-(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
2-[(3-Fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole
CID 2148573
1-(ethylsulfonyl)-2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazole
CID 2148575

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole (CID 2148576) is 2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole is CCCS(=O)(=O)N1CCN=C1SCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The InChIKey is KJKXWYZVYOFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S2/c1-2-8-20(17,18)16-7-6-15-13(16)19-10-11-4-3-5-12(14)9-11/h3-5,9H,2,6-8,10H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
2-[(3-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole has a molecular weight of 316.42 g/mol, XLogP of 2.47, 5 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-propylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).