3,4-diphenyl-1H-imidazole-2-thione

C15H12N2S — CID 807871

IUPAC3,4-diphenyl-1H-imidazole-2-thione
SMILESS=c1[nH]cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C15H12N2S/c18-15-16-11-14(12-7-3-1-4-8-12)17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)
InChIKeyWVWPIDMVMOHYEG-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.20
Rot. Bonds2

About 3,4-diphenyl-1H-imidazole-2-thione

3,4-diphenyl-1H-imidazole-2-thione (PubChem CID 807871) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3,4-diphenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3,4-diphenyl-1H-imidazole-2-thione
PubChem CID807871
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name3,4-diphenyl-1H-imidazole-2-thione
SMILESS=c1[nH]cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C15H12N2S/c18-15-16-11-14(12-7-3-1-4-8-12)17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)
InChIKeyWVWPIDMVMOHYEG-UHFFFAOYSA-N
XLogP4.20
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1H-imidazole-2-thione?
The IUPAC name of 3,4-diphenyl-1H-imidazole-2-thione (CID 807871) is 3,4-diphenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3,4-diphenyl-1H-imidazole-2-thione?
The canonical SMILES for 3,4-diphenyl-1H-imidazole-2-thione is S=c1[nH]cc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 3,4-diphenyl-1H-imidazole-2-thione?
The InChIKey is WVWPIDMVMOHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c18-15-16-11-14(12-7-3-1-4-8-12)17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18).
What are the key properties of 3,4-diphenyl-1H-imidazole-2-thione?
3,4-diphenyl-1H-imidazole-2-thione has a molecular weight of 252.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1H-imidazole-2-thione is sourced from PubChem (CID 807871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).