3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one

C12H14N2O2 — CID 118668081

IUPAC3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one
SMILESCCn1c(-c2cccc(OC)c2)c[nH]c1=O
InChIInChI=1S/C12H14N2O2/c1-3-14-11(8-13-12(14)15)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyAKRYHHKZNHRFDL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.87
Rot. Bonds3

About 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one

3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one (PubChem CID 118668081) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one
PubChem CID118668081
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one
SMILESCCn1c(-c2cccc(OC)c2)c[nH]c1=O
InChIInChI=1S/C12H14N2O2/c1-3-14-11(8-13-12(14)15)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyAKRYHHKZNHRFDL-UHFFFAOYSA-N
XLogP1.87
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
6-(3-methoxyphenyl)-1-methyl-4-sulfanylidenepyrimidin-2-one
CID 121206495
2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768004
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 107851475
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one (CID 118668081) is 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one is CCn1c(-c2cccc(OC)c2)c[nH]c1=O.
What is the InChIKey of 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one?
The InChIKey is AKRYHHKZNHRFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-14-11(8-13-12(14)15)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one?
3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 118668081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).