5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione

C19H20N2O2S — CID 6621318

IUPAC5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3C)c(=S)[nH]2)cc1OC
InChIInChI=1S/C19H20N2O2S/c1-12-5-7-16(13(2)9-12)21-11-15(20-19(21)24)14-6-8-17(22-3)18(10-14)23-4/h5-11H,1-4H3,(H,20,24)
InChIKeyMEHSRHGDXYPCKN-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.84
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione

5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione (PubChem CID 6621318) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione
PubChem CID6621318
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3C)c(=S)[nH]2)cc1OC
InChIInChI=1S/C19H20N2O2S/c1-12-5-7-16(13(2)9-12)21-11-15(20-19(21)24)14-6-8-17(22-3)18(10-14)23-4/h5-11H,1-4H3,(H,20,24)
InChIKeyMEHSRHGDXYPCKN-UHFFFAOYSA-N
XLogP4.84
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione (CID 6621318) is 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione is COc1ccc(-c2cn(-c3ccc(C)cc3C)c(=S)[nH]2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione?
The InChIKey is MEHSRHGDXYPCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-5-7-16(13(2)9-12)21-11-15(20-19(21)24)14-6-8-17(22-3)18(10-14)23-4/h5-11H,1-4H3,(H,20,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione?
5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione has a molecular weight of 340.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-1H-imidazole-2-thione is sourced from PubChem (CID 6621318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).