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

C18H16N2O3 — CID 123175085

IUPAC3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one
SMILESCOc1ccc(-c2c[nH]c(=O)n2-c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)14-4-3-5-15(10-14)20-17(11-19-18(20)22)13-6-8-16(23-2)9-7-13/h3-11H,1-2H3,(H,19,22)
InChIKeyXLCFFXJTZJLZIU-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.04
Rot. Bonds4

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

3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one (PubChem CID 123175085) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one
PubChem CID123175085
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one
SMILESCOc1ccc(-c2c[nH]c(=O)n2-c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)14-4-3-5-15(10-14)20-17(11-19-18(20)22)13-6-8-16(23-2)9-7-13/h3-11H,1-2H3,(H,19,22)
InChIKeyXLCFFXJTZJLZIU-UHFFFAOYSA-N
XLogP3.04
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-one
CID 123163951
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-4-(3,4,5-trimethylphenyl)-1H-imidazol-2-one
CID 123896261
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823
6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione
CID 766014
3,4-bis(4-methoxyphenyl)-1H-imidazole-2-thione
CID 18524150
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(3-acetylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1216669
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol
CID 71725275

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one (CID 123175085) is 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one is COc1ccc(-c2c[nH]c(=O)n2-c2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one?
The InChIKey is XLCFFXJTZJLZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)14-4-3-5-15(10-14)20-17(11-19-18(20)22)13-6-8-16(23-2)9-7-13/h3-11H,1-2H3,(H,19,22).
What are the key properties of 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one?
3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one has a molecular weight of 308.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 123175085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).