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

C13H17FN2O2S2 — CID 2148589

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2S2/c1-2-9-20(17,18)16-8-7-15-13(16)19-10-11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyDEMZIJAHYMODPK-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.47
Rot. Bonds5

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

2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148589) has the molecular formula C13H17FN2O2S2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
PubChem CID2148589
Molecular FormulaC13H17FN2O2S2
Molecular Weight316.42 g/mol
Exact Mass316.07
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2S2/c1-2-9-20(17,18)16-8-7-15-13(16)19-10-11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyDEMZIJAHYMODPK-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole (CID 2148589) is 2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole is CCCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The InChIKey is DEMZIJAHYMODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S2/c1-2-9-20(17,18)16-8-7-15-13(16)19-10-11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
2-[(4-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-[(4-fluorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).