3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione

C13H16N2OS — CID 81337921

IUPAC3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione
SMILESCCOc1ccccc1-n1c(CC)c[nH]c1=S
InChIInChI=1S/C13H16N2OS/c1-3-10-9-14-13(17)15(10)11-7-5-6-8-12(11)16-4-2/h5-9H,3-4H2,1-2H3,(H,14,17)
InChIKeyFOZYHXHVQIUQBV-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.50
Rot. Bonds4

About 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione

3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione (PubChem CID 81337921) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione
PubChem CID81337921
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione
SMILESCCOc1ccccc1-n1c(CC)c[nH]c1=S
InChIInChI=1S/C13H16N2OS/c1-3-10-9-14-13(17)15(10)11-7-5-6-8-12(11)16-4-2/h5-9H,3-4H2,1-2H3,(H,14,17)
InChIKeyFOZYHXHVQIUQBV-UHFFFAOYSA-N
XLogP3.50
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.50
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

3-(2-ethoxyphenyl)-4-methyl-1H-imidazole-2-thione
CID 81337774
4-(2-ethoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione
CID 17372455
6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 19576799
3-(2-bromo-4-fluorophenyl)-4-ethyl-1H-imidazole-2-thione
CID 81339618
7-chloro-3-(2-ethoxyphenyl)-1H-benzimidazole-2-thione
CID 104836210
3-(2-ethoxyphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321671
3-(2-ethoxyphenyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714217
3-(2-ethoxyphenyl)-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66101910
3-(3,5-difluorophenyl)-4-ethyl-1H-imidazole-2-thione
CID 81338772
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713932
3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one
CID 50970762

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione (CID 81337921) is 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione is CCOc1ccccc1-n1c(CC)c[nH]c1=S.
What is the InChIKey of 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione?
The InChIKey is FOZYHXHVQIUQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-10-9-14-13(17)15(10)11-7-5-6-8-12(11)16-4-2/h5-9H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione?
3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione has a molecular weight of 248.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione is sourced from PubChem (CID 81337921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).