1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole

C18H18N2S2 — CID 167446542

IUPAC1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole
SMILESCSc1ccc(CSc2nccn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2S2/c1-14-3-7-16(8-4-14)20-12-11-19-18(20)22-13-15-5-9-17(21-2)10-6-15/h3-12H,13H2,1-2H3
InChIKeyQEQIJOSLAJESFD-UHFFFAOYSA-N
MW326.49 g/mol
LogP5.19
Rot. Bonds5

About 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole

1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole (PubChem CID 167446542) has the molecular formula C18H18N2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole
PubChem CID167446542
Molecular FormulaC18H18N2S2
Molecular Weight326.49 g/mol
Exact Mass326.09
IUPAC Name1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole
SMILESCSc1ccc(CSc2nccn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2S2/c1-14-3-7-16(8-4-14)20-12-11-19-18(20)22-13-15-5-9-17(21-2)10-6-15/h3-12H,13H2,1-2H3
InChIKeyQEQIJOSLAJESFD-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole 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 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole?
The IUPAC name of 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole (CID 167446542) is 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole.
What is the SMILES notation for 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole?
The canonical SMILES for 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole is CSc1ccc(CSc2nccn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole?
The InChIKey is QEQIJOSLAJESFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S2/c1-14-3-7-16(8-4-14)20-12-11-19-18(20)22-13-15-5-9-17(21-2)10-6-15/h3-12H,13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole?
1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole has a molecular weight of 326.49 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole is sourced from PubChem (CID 167446542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).