4,5-diphenyl-1,3-dihydroimidazole-2-thione

C15H12N2S — CID 679479

IUPAC4,5-diphenyl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)
InChIKeyGMTAWLUJHGIUPU-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.41
Rot. Bonds2

About 4,5-diphenyl-1,3-dihydroimidazole-2-thione

4,5-diphenyl-1,3-dihydroimidazole-2-thione (PubChem CID 679479) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4,5-diphenyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-diphenyl-1,3-dihydroimidazole-2-thione
PubChem CID679479
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name4,5-diphenyl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)
InChIKeyGMTAWLUJHGIUPU-UHFFFAOYSA-N
XLogP4.41
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 4,5-diphenyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-diphenyl-1,3-dihydroimidazole-2-thione (CID 679479) is 4,5-diphenyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-diphenyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-diphenyl-1,3-dihydroimidazole-2-thione is S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 4,5-diphenyl-1,3-dihydroimidazole-2-thione?
The InChIKey is GMTAWLUJHGIUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18).
What are the key properties of 4,5-diphenyl-1,3-dihydroimidazole-2-thione?
4,5-diphenyl-1,3-dihydroimidazole-2-thione has a molecular weight of 252.34 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 679479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).