1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole

C13H11F3N2S — CID 1484823

IUPAC1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole
SMILESFC(F)=C(F)CCSc1nccn1-c1ccccc1
InChIInChI=1S/C13H11F3N2S/c14-11(12(15)16)6-9-19-13-17-7-8-18(13)10-4-2-1-3-5-10/h1-5,7-8H,6,9H2
InChIKeyUNLDWRSSSOWMKS-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.43
Rot. Bonds5

About 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole

1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole (PubChem CID 1484823) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole.

Molecular Properties

Compound Name1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole
PubChem CID1484823
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole
SMILESFC(F)=C(F)CCSc1nccn1-c1ccccc1
InChIInChI=1S/C13H11F3N2S/c14-11(12(15)16)6-9-19-13-17-7-8-18(13)10-4-2-1-3-5-10/h1-5,7-8H,6,9H2
InChIKeyUNLDWRSSSOWMKS-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole?
The IUPAC name of 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole (CID 1484823) is 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole.
What is the SMILES notation for 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole?
The canonical SMILES for 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole is FC(F)=C(F)CCSc1nccn1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole?
The InChIKey is UNLDWRSSSOWMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2S/c14-11(12(15)16)6-9-19-13-17-7-8-18(13)10-4-2-1-3-5-10/h1-5,7-8H,6,9H2.
What are the key properties of 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole?
1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole has a molecular weight of 284.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole is sourced from PubChem (CID 1484823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).