1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione

C29H24N2S — CID 12674926

IUPAC1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
SMILESCc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1
InChIInChI=1S/C29H24N2S/c1-21-13-17-25(18-14-21)30-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)31(29(30)32)26-19-15-22(2)16-20-26/h3-20H,1-2H3
InChIKeyNUZDVAXDJIWDAW-UHFFFAOYSA-N
MW432.59 g/mol
LogP7.95
Rot. Bonds4

About 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione

1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione (PubChem CID 12674926) has the molecular formula C29H24N2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
PubChem CID12674926
Molecular FormulaC29H24N2S
Molecular Weight432.59 g/mol
Exact Mass432.17
IUPAC Name1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
SMILESCc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1
InChIInChI=1S/C29H24N2S/c1-21-13-17-25(18-14-21)30-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)31(29(30)32)26-19-15-22(2)16-20-26/h3-20H,1-2H3
InChIKeyNUZDVAXDJIWDAW-UHFFFAOYSA-N
XLogP7.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-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

Related Compounds

2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane
CID 159315059
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
CID 3472388
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033
2-(4-methylphenyl)-1,3,4-triphenyl-5-[4-[(E)-prop-1-enyl]phenyl]pyrrole
CID 166512404
cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine
CID 10570277

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione?
The IUPAC name of 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione (CID 12674926) is 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione?
The canonical SMILES for 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione is Cc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione?
The InChIKey is NUZDVAXDJIWDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2S/c1-21-13-17-25(18-14-21)30-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)31(29(30)32)26-19-15-22(2)16-20-26/h3-20H,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione?
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione has a molecular weight of 432.59 g/mol, XLogP of 7.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione is sourced from PubChem (CID 12674926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).