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

C19H20N2O2S — CID 24761577

IUPAC5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione
SMILESCOc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(=S)[nH]2)cc1OC
InChIInChI=1S/C19H20N2O2S/c1-12-5-7-15(9-13(12)2)21-11-16(20-19(21)24)14-6-8-17(22-3)18(10-14)23-4/h5-11H,1-4H3,(H,20,24)
InChIKeyCYEJFWAHOFLMCU-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.84
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione (PubChem CID 24761577) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione
PubChem CID24761577
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione
SMILESCOc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(=S)[nH]2)cc1OC
InChIInChI=1S/C19H20N2O2S/c1-12-5-7-15(9-13(12)2)21-11-16(20-19(21)24)14-6-8-17(22-3)18(10-14)23-4/h5-11H,1-4H3,(H,20,24)
InChIKeyCYEJFWAHOFLMCU-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'}

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Related Compounds

3-(3-chloro-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione
CID 2134298
4-(3,4-Dimethoxyphenyl)-1-(2,4-dimethylphenyl)-2,3-dihydro-1H-imidazole-2-thione
CID 6621318
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-dimethylphenyl)urea
CID 6466120
N-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
CID 1858385
1-[(3-Methoxyphenyl)methyl]-1-methyl-3-(3-methylphenyl)thiourea
CID 2444076
1-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,3-dimethylphenyl)thiourea
CID 2508573
3-(3,4-Dimethylphenyl)-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 2548649
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea
CID 686451
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 728866
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazole-2-thione
CID 2135732
5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-imidazole-2-thione
CID 2135733
4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-1,3-dihydro-2H-imidazol-2-one
CID 2135734

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione (CID 24761577) is 5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione is COc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(=S)[nH]2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-1H-imidazole-2-thione?
The InChIKey is CYEJFWAHOFLMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-5-7-15(9-13(12)2)21-11-16(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-(3,4-dimethylphenyl)-1H-imidazole-2-thione?
5-(3,4-dimethoxyphenyl)-3-(3,4-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-(3,4-dimethylphenyl)-1H-imidazole-2-thione is sourced from PubChem (CID 24761577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).