4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one

C13H16N2O3S — CID 54324951

IUPAC4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one
SMILESCOc1ccc(-n2c(O)c(CCSC)[nH]c2=O)cc1
InChIInChI=1S/C13H16N2O3S/c1-18-10-5-3-9(4-6-10)15-12(16)11(7-8-19-2)14-13(15)17/h3-6,16H,7-8H2,1-2H3,(H,14,17)
InChIKeySUGJPOUDHMJIOX-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.79
Rot. Bonds5

About 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one

4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one (PubChem CID 54324951) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one
PubChem CID54324951
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one
SMILESCOc1ccc(-n2c(O)c(CCSC)[nH]c2=O)cc1
InChIInChI=1S/C13H16N2O3S/c1-18-10-5-3-9(4-6-10)15-12(16)11(7-8-19-2)14-13(15)17/h3-6,16H,7-8H2,1-2H3,(H,14,17)
InChIKeySUGJPOUDHMJIOX-UHFFFAOYSA-N
XLogP1.79
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
5-[N-[2-(diethylamino)ethyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 559522
4-hydroxy-3-[4-(5-methoxy-2-methylphenoxy)phenyl]-5-methyl-1H-imidazol-2-one
CID 123618505
2-[(E)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]guanidine
CID 135684639
5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 4311680
3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261977
5-[C-ethyl-N-(2-fluorophenyl)carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3623610
5-(N-hexyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3769455
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione
CID 2844600
5-[C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3696701

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one (CID 54324951) is 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one is COc1ccc(-n2c(O)c(CCSC)[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one?
The InChIKey is SUGJPOUDHMJIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-10-5-3-9(4-6-10)15-12(16)11(7-8-19-2)14-13(15)17/h3-6,16H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one?
4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one has a molecular weight of 280.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one is sourced from PubChem (CID 54324951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).