1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone

C13H14N2O2S — CID 107781155

IUPAC1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
SMILESCCOc1ccccc1C(=O)CSc1ncc[nH]1
InChIInChI=1S/C13H14N2O2S/c1-2-17-12-6-4-3-5-10(12)11(16)9-18-13-14-7-8-15-13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyJKDDFMVCVCAQPE-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone

1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone (PubChem CID 107781155) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
PubChem CID107781155
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
SMILESCCOc1ccccc1C(=O)CSc1ncc[nH]1
InChIInChI=1S/C13H14N2O2S/c1-2-17-12-6-4-3-5-10(12)11(16)9-18-13-14-7-8-15-13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyJKDDFMVCVCAQPE-UHFFFAOYSA-N
XLogP2.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
CID 61219522
(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone
CID 112731515
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
1-(2,5-dimethylphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
CID 103705497
2-ethoxy-N-(1H-imidazol-2-yl)benzamide
CID 60967218
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
CID 107752662
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
CID 66469435
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone (CID 107781155) is 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone is CCOc1ccccc1C(=O)CSc1ncc[nH]1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone?
The InChIKey is JKDDFMVCVCAQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-17-12-6-4-3-5-10(12)11(16)9-18-13-14-7-8-15-13/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone?
1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone has a molecular weight of 262.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 107781155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).