4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione

C17H16N2S — CID 25220246

IUPAC4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione
SMILESCc1ccc(C2=NC(=S)NC2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(19-17(20)18-15)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,18,20)
InChIKeyHJCHOZPCVPIIBY-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.72
Rot. Bonds2

About 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione

4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione (PubChem CID 25220246) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione
PubChem CID25220246
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione
SMILESCc1ccc(C2=NC(=S)NC2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(19-17(20)18-15)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,18,20)
InChIKeyHJCHOZPCVPIIBY-UHFFFAOYSA-N
XLogP3.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-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 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione?
The IUPAC name of 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione (CID 25220246) is 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione is Cc1ccc(C2=NC(=S)NC2c2ccc(C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione?
The InChIKey is HJCHOZPCVPIIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(19-17(20)18-15)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,18,20).
What are the key properties of 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione?
4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione has a molecular weight of 280.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione is sourced from PubChem (CID 25220246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).