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

C13H16N2OS — CID 81337916

IUPAC4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1-c1cc(C)ccc1OC
InChIInChI=1S/C13H16N2OS/c1-4-10-8-14-13(17)15(10)11-7-9(2)5-6-12(11)16-3/h5-8H,4H2,1-3H3,(H,14,17)
InChIKeyAXLDNBPRUJAPON-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.41
Rot. Bonds3

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

4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione (PubChem CID 81337916) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione
PubChem CID81337916
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1-c1cc(C)ccc1OC
InChIInChI=1S/C13H16N2OS/c1-4-10-8-14-13(17)15(10)11-7-9(2)5-6-12(11)16-3/h5-8H,4H2,1-3H3,(H,14,17)
InChIKeyAXLDNBPRUJAPON-UHFFFAOYSA-N
XLogP3.41
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.41
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-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione
CID 130209666
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
3-(2-bromo-4-fluorophenyl)-4-ethyl-1H-imidazole-2-thione
CID 81339618
6-bromo-3-(2-methoxy-5-methylphenyl)-1H-benzimidazole-2-thione
CID 43660467
3-(3,5-difluorophenyl)-4-ethyl-1H-imidazole-2-thione
CID 81338772
4-ethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 81334608
2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
CID 62506691
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974668
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole
CID 144565348
6-hydroxy-1-(2-methoxy-5-methylphenyl)-4,5-dimethylpyridin-2-one
CID 23338600
2-[4-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetonitrile
CID 81336030

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione (CID 81337916) is 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1-c1cc(C)ccc1OC.
What is the InChIKey of 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione?
The InChIKey is AXLDNBPRUJAPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-10-8-14-13(17)15(10)11-7-9(2)5-6-12(11)16-3/h5-8H,4H2,1-3H3,(H,14,17).
What are the key properties of 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione?
4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione has a molecular weight of 248.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81337916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).