3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione

C15H11FN2S — CID 3374628

IUPAC3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione
SMILESFc1ccccc1-n1cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C15H11FN2S/c16-12-8-4-5-9-14(12)18-10-13(17-15(18)19)11-6-2-1-3-7-11/h1-10H,(H,17,19)
InChIKeyVTDRTZMCTKJAIM-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.34
Rot. Bonds2

About 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione

3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione (PubChem CID 3374628) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione
PubChem CID3374628
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione
SMILESFc1ccccc1-n1cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C15H11FN2S/c16-12-8-4-5-9-14(12)18-10-13(17-15(18)19)11-6-2-1-3-7-11/h1-10H,(H,17,19)
InChIKeyVTDRTZMCTKJAIM-UHFFFAOYSA-N
XLogP4.34
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione (CID 3374628) is 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione is Fc1ccccc1-n1cc(-c2ccccc2)[nH]c1=S.
What is the InChIKey of 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione?
The InChIKey is VTDRTZMCTKJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c16-12-8-4-5-9-14(12)18-10-13(17-15(18)19)11-6-2-1-3-7-11/h1-10H,(H,17,19).
What are the key properties of 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione?
3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione has a molecular weight of 270.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 3374628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).