3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione

C21H15ClN2S — CID 23629014

IUPAC3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione
SMILESS=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2S/c22-17-11-13-18(14-12-17)24-20(16-9-5-2-6-10-16)19(23-21(24)25)15-7-3-1-4-8-15/h1-14H,(H,23,25)
InChIKeyFESRNLWPRXHNJS-UHFFFAOYSA-N
MW362.89 g/mol
LogP6.52
Rot. Bonds3

About 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione

3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione (PubChem CID 23629014) has the molecular formula C21H15ClN2S and a molecular weight of 362.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione
PubChem CID23629014
Molecular FormulaC21H15ClN2S
Molecular Weight362.89 g/mol
Exact Mass362.06
IUPAC Name3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione
SMILESS=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2S/c22-17-11-13-18(14-12-17)24-20(16-9-5-2-6-10-16)19(23-21(24)25)15-7-3-1-4-8-15/h1-14H,(H,23,25)
InChIKeyFESRNLWPRXHNJS-UHFFFAOYSA-N
XLogP6.52
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.89
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-4,5-diphenyl-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

Related Compounds

3,4,5-triphenyl-1H-imidazole-2-thione
CID 807387
3-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole-2-thione
CID 23629013
3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione
CID 10088880
5-(4-ethoxyphenyl)-3,4-diphenyl-1H-imidazole-2-thione
CID 4126193
5-(4-ethoxyphenyl)-3,4-diphenyl-1H-imidazole-2-thione;hydrobromide
CID 45046253
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718
3-(4-chlorophenyl)-5,6-diphenyl-2-sulfanylidene-1H-furo[2,3-d]pyrimidin-4-one
CID 11293351
5-(4-chlorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione
CID 54410912
4-(4-chlorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione
CID 54471084
5-chloro-3-phenyl-1H-benzimidazole-2-thione
CID 3061814
2-(4-chlorophenyl)-4,5-diphenyl-1,2,4-triazole-3-thione
CID 10761239
3-(4-chlorophenyl)-7-fluoro-1H-benzimidazole-2-thione
CID 60788639

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione?
The IUPAC name of 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione (CID 23629014) is 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione is S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione?
The InChIKey is FESRNLWPRXHNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2S/c22-17-11-13-18(14-12-17)24-20(16-9-5-2-6-10-16)19(23-21(24)25)15-7-3-1-4-8-15/h1-14H,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione?
3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione has a molecular weight of 362.89 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione is sourced from PubChem (CID 23629014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).