4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole

C19H12F2N2S — CID 921225

IUPAC4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole
SMILESFc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H12F2N2S/c20-14-7-3-12(4-8-14)17-18(13-5-9-15(21)10-6-13)23-19(22-17)16-2-1-11-24-16/h1-11H,(H,22,23)
InChIKeyYQHTUBWTKGAXAW-UHFFFAOYSA-N
MW338.38 g/mol
LogP5.75
Rot. Bonds3

About 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole

4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole (PubChem CID 921225) has the molecular formula C19H12F2N2S and a molecular weight of 338.38 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole
PubChem CID921225
Molecular FormulaC19H12F2N2S
Molecular Weight338.38 g/mol
Exact Mass338.07
IUPAC Name4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole
SMILESFc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H12F2N2S/c20-14-7-3-12(4-8-14)17-18(13-5-9-15(21)10-6-13)23-19(22-17)16-2-1-11-24-16/h1-11H,(H,22,23)
InChIKeyYQHTUBWTKGAXAW-UHFFFAOYSA-N
XLogP5.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.38
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole?
The IUPAC name of 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole (CID 921225) is 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole is Fc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole?
The InChIKey is YQHTUBWTKGAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2S/c20-14-7-3-12(4-8-14)17-18(13-5-9-15(21)10-6-13)23-19(22-17)16-2-1-11-24-16/h1-11H,(H,22,23).
What are the key properties of 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole?
4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole has a molecular weight of 338.38 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 921225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).