4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one

C18H18N2O4 — CID 123618505

IUPAC4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one
SMILESCOc1ccc(C)c(Oc2ccc(-n3c(O)c(C)[nH]c3=O)cc2)c1
InChIInChI=1S/C18H18N2O4/c1-11-4-7-15(23-3)10-16(11)24-14-8-5-13(6-9-14)20-17(21)12(2)19-18(20)22/h4-10,21H,1-3H3,(H,19,22)
InChIKeyOTUUOOFPGDFTBK-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.29
Rot. Bonds4

About 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one

4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one (PubChem CID 123618505) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one
PubChem CID123618505
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one
SMILESCOc1ccc(C)c(Oc2ccc(-n3c(O)c(C)[nH]c3=O)cc2)c1
InChIInChI=1S/C18H18N2O4/c1-11-4-7-15(23-3)10-16(11)24-14-8-5-13(6-9-14)20-17(21)12(2)19-18(20)22/h4-10,21H,1-3H3,(H,19,22)
InChIKeyOTUUOOFPGDFTBK-UHFFFAOYSA-N
XLogP3.29
TPSA76.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione
CID 139434096
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
5-[N-(2,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3719384
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
CID 139434118
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261977
4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one
CID 54324951
5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 4311680
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one (CID 123618505) is 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one is COc1ccc(C)c(Oc2ccc(-n3c(O)c(C)[nH]c3=O)cc2)c1.
What is the InChIKey of 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one?
The InChIKey is OTUUOOFPGDFTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-4-7-15(23-3)10-16(11)24-14-8-5-13(6-9-14)20-17(21)12(2)19-18(20)22/h4-10,21H,1-3H3,(H,19,22).
What are the key properties of 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one?
4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one has a molecular weight of 326.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 123618505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).