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

C15H13FN2OS2 — CID 3422062

IUPAC[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C15H13FN2OS2/c16-12-5-3-11(4-6-12)10-21-15-17-7-8-18(15)14(19)13-2-1-9-20-13/h1-6,9H,7-8,10H2
InChIKeyKDZMGIJSSPHFPX-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.63
Rot. Bonds3

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

[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 3422062) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
PubChem CID3422062
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C15H13FN2OS2/c16-12-5-3-11(4-6-12)10-21-15-17-7-8-18(15)14(19)13-2-1-9-20-13/h1-6,9H,7-8,10H2
InChIKeyKDZMGIJSSPHFPX-UHFFFAOYSA-N
XLogP3.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.63
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]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (CID 3422062) is [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN=C1SCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is KDZMGIJSSPHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c16-12-5-3-11(4-6-12)10-21-15-17-7-8-18(15)14(19)13-2-1-9-20-13/h1-6,9H,7-8,10H2.
What are the key properties of [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 320.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3422062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).