5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione

C15H12N2OS — CID 24964312

IUPAC5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione
SMILESOc1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1
InChIInChI=1S/C15H12N2OS/c18-13-8-6-11(7-9-13)14-10-17(15(19)16-14)12-4-2-1-3-5-12/h1-10,18H,(H,16,19)
InChIKeyDATFJIHGOABNML-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.91
Rot. Bonds2

About 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione

5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione (PubChem CID 24964312) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione
PubChem CID24964312
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione
SMILESOc1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1
InChIInChI=1S/C15H12N2OS/c18-13-8-6-11(7-9-13)14-10-17(15(19)16-14)12-4-2-1-3-5-12/h1-10,18H,(H,16,19)
InChIKeyDATFJIHGOABNML-UHFFFAOYSA-N
XLogP3.91
TPSA40.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-hydroxyphenyl)-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 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione?
The IUPAC name of 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione (CID 24964312) is 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione is Oc1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione?
The InChIKey is DATFJIHGOABNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-13-8-6-11(7-9-13)14-10-17(15(19)16-14)12-4-2-1-3-5-12/h1-10,18H,(H,16,19).
What are the key properties of 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione?
5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione has a molecular weight of 268.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 24964312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).