6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one

C16H14N2O3 — CID 142677422

IUPAC6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one
SMILESCCOc1cccc(-c2cc(-n3ccnc3)cc(=O)o2)c1
InChIInChI=1S/C16H14N2O3/c1-2-20-14-5-3-4-12(8-14)15-9-13(10-16(19)21-15)18-7-6-17-11-18/h3-11H,2H2,1H3
InChIKeySNHOIXBRAHGXNV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.89
Rot. Bonds4

About 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one

6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one (PubChem CID 142677422) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one
PubChem CID142677422
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one
SMILESCCOc1cccc(-c2cc(-n3ccnc3)cc(=O)o2)c1
InChIInChI=1S/C16H14N2O3/c1-2-20-14-5-3-4-12(8-14)15-9-13(10-16(19)21-15)18-7-6-17-11-18/h3-11H,2H2,1H3
InChIKeySNHOIXBRAHGXNV-UHFFFAOYSA-N
XLogP2.89
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-6-(3-ethoxyphenyl)-4-imidazol-1-ylpyridin-2-one
CID 142677379
4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one
CID 142677427
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
1-[3-(3-methylsulfonylpropoxy)phenyl]imidazole
CID 71984751
1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one
CID 142677377
3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
CID 94265809
4-[(3-imidazol-1-ylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71984752
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one
CID 142677395
2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271897
1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
CID 174113162
3-(3-ethoxyphenyl)-1-methyl-5-phenylpyridin-4-one
CID 12879399

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one?
The IUPAC name of 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one (CID 142677422) is 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one.
What is the SMILES notation for 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one?
The canonical SMILES for 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one is CCOc1cccc(-c2cc(-n3ccnc3)cc(=O)o2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one?
The InChIKey is SNHOIXBRAHGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-20-14-5-3-4-12(8-14)15-9-13(10-16(19)21-15)18-7-6-17-11-18/h3-11H,2H2,1H3.
What are the key properties of 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one?
6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-4-imidazol-1-ylpyran-2-one is sourced from PubChem (CID 142677422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).