4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione

C12H14N2OS — CID 130209666

IUPAC4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione
SMILESCOc1ccc(C)cc1-c1c[nH]c(=S)n1C
InChIInChI=1S/C12H14N2OS/c1-8-4-5-11(15-3)9(6-8)10-7-13-12(16)14(10)2/h4-7H,1-3H3,(H,13,16)
InChIKeyOZPNFDLECUICPS-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.07
Rot. Bonds2

About 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione

4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione (PubChem CID 130209666) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione
PubChem CID130209666
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione
SMILESCOc1ccc(C)cc1-c1c[nH]c(=S)n1C
InChIInChI=1S/C12H14N2OS/c1-8-4-5-11(15-3)9(6-8)10-7-13-12(16)14(10)2/h4-7H,1-3H3,(H,13,16)
InChIKeyOZPNFDLECUICPS-UHFFFAOYSA-N
XLogP3.07
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethoxyphenyl)-3-methyl-1H-imidazole-2-thione
CID 118671646
4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione
CID 81337916
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159589
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole
CID 130471937
3-benzyl-4-(2-methoxy-5-methylphenyl)-1,3-thiazole-2-thione
CID 130209668
3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one
CID 106517368
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione (CID 130209666) is 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione is COc1ccc(C)cc1-c1c[nH]c(=S)n1C.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione?
The InChIKey is OZPNFDLECUICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-4-5-11(15-3)9(6-8)10-7-13-12(16)14(10)2/h4-7H,1-3H3,(H,13,16).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione?
4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione has a molecular weight of 234.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 130209666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).