1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone

C16H15FN2OS2 — CID 4581954

IUPAC1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2OS2/c17-13-5-3-12(4-6-13)11-22-16-18-7-8-19(16)15(20)10-14-2-1-9-21-14/h1-6,9H,7-8,10-11H2
InChIKeyXLRAAAUHYUOJJJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.56
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone

1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone (PubChem CID 4581954) has the molecular formula C16H15FN2OS2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
PubChem CID4581954
Molecular FormulaC16H15FN2OS2
Molecular Weight334.44 g/mol
Exact Mass334.06
IUPAC Name1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2OS2/c17-13-5-3-12(4-6-13)11-22-16-18-7-8-19(16)15(20)10-14-2-1-9-21-14/h1-6,9H,7-8,10-11H2
InChIKeyXLRAAAUHYUOJJJ-UHFFFAOYSA-N
XLogP3.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 3327765
(2-((4-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3422062
(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4685877
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 5055867
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3243391
1-(2-((4-bromobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 3562417
1-[2-(Methylthio)-2-imidazolin-1-yl]-2-(2-thienyl)-1-ethanone
CID 4058355
(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4295478
1-(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 5019881
2-(thiophen-2-yl)-1-(2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 4215763
1-(2-((2-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 3413161
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone
CID 4548731

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone (CID 4581954) is 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN=C1SCc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is XLRAAAUHYUOJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS2/c17-13-5-3-12(4-6-13)11-22-16-18-7-8-19(16)15(20)10-14-2-1-9-21-14/h1-6,9H,7-8,10-11H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 334.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 4581954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).