2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole

C10H8F2N2S — CID 175985866

IUPAC2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole
SMILESFc1ccc(CSC2=NCC=N2)c(F)c1
InChIInChI=1S/C10H8F2N2S/c11-8-2-1-7(9(12)5-8)6-15-10-13-3-4-14-10/h1-3,5H,4,6H2
InChIKeyNBHIYSKBLNNLPS-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.64
Rot. Bonds2

About 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole

2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole (PubChem CID 175985866) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole
PubChem CID175985866
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole
SMILESFc1ccc(CSC2=NCC=N2)c(F)c1
InChIInChI=1S/C10H8F2N2S/c11-8-2-1-7(9(12)5-8)6-15-10-13-3-4-14-10/h1-3,5H,4,6H2
InChIKeyNBHIYSKBLNNLPS-UHFFFAOYSA-N
XLogP2.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole?
The IUPAC name of 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole (CID 175985866) is 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole is Fc1ccc(CSC2=NCC=N2)c(F)c1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole?
The InChIKey is NBHIYSKBLNNLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c11-8-2-1-7(9(12)5-8)6-15-10-13-3-4-14-10/h1-3,5H,4,6H2.
What are the key properties of 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole?
2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole has a molecular weight of 226.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole is sourced from PubChem (CID 175985866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).