4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione

C15H11ClN2S — CID 4846975

IUPAC4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione
SMILESS=c1[nH]cc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C15H11ClN2S/c16-12-8-6-11(7-9-12)14-10-17-15(19)18(14)13-4-2-1-3-5-13/h1-10H,(H,17,19)
InChIKeyZUHUPNVZKHINMK-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.86
Rot. Bonds2

About 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione

4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione (PubChem CID 4846975) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione
PubChem CID4846975
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione
SMILESS=c1[nH]cc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C15H11ClN2S/c16-12-8-6-11(7-9-12)14-10-17-15(19)18(14)13-4-2-1-3-5-13/h1-10H,(H,17,19)
InChIKeyZUHUPNVZKHINMK-UHFFFAOYSA-N
XLogP4.86
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-3-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 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione?
The IUPAC name of 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione (CID 4846975) is 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione is S=c1[nH]cc(-c2ccc(Cl)cc2)n1-c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione?
The InChIKey is ZUHUPNVZKHINMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-12-8-6-11(7-9-12)14-10-17-15(19)18(14)13-4-2-1-3-5-13/h1-10H,(H,17,19).
What are the key properties of 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione?
4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione has a molecular weight of 286.79 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 4846975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).