2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

C17H15F3N2OS2 — CID 4215763

IUPAC2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2OS2/c18-17(19,20)13-5-3-12(4-6-13)11-25-16-21-7-8-22(16)15(23)10-14-2-1-9-24-14/h1-6,9H,7-8,10-11H2
InChIKeyDEFZWJDOVAPPJQ-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.44
Rot. Bonds4

About 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 4215763) has the molecular formula C17H15F3N2OS2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID4215763
Molecular FormulaC17H15F3N2OS2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC Name2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2OS2/c18-17(19,20)13-5-3-12(4-6-13)11-25-16-21-7-8-22(16)15(23)10-14-2-1-9-24-14/h1-6,9H,7-8,10-11H2
InChIKeyDEFZWJDOVAPPJQ-UHFFFAOYSA-N
XLogP4.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (CID 4215763) is 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is O=C(Cc1cccs1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is DEFZWJDOVAPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS2/c18-17(19,20)13-5-3-12(4-6-13)11-25-16-21-7-8-22(16)15(23)10-14-2-1-9-24-14/h1-6,9H,7-8,10-11H2.
What are the key properties of 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 384.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 4215763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).