5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one

C19H16N2O4 — CID 173108297

IUPAC5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one
SMILESCOc1cc(C=CC2=NC(c3ccccc3)=NC2=O)cc(OC)c1O
InChIInChI=1S/C19H16N2O4/c1-24-15-10-12(11-16(25-2)17(15)22)8-9-14-19(23)21-18(20-14)13-6-4-3-5-7-13/h3-11,22H,1-2H3
InChIKeyRLWHSJAFRLFUIE-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.85
Rot. Bonds5

About 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one

5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one (PubChem CID 173108297) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one
PubChem CID173108297
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one
SMILESCOc1cc(C=CC2=NC(c3ccccc3)=NC2=O)cc(OC)c1O
InChIInChI=1S/C19H16N2O4/c1-24-15-10-12(11-16(25-2)17(15)22)8-9-14-19(23)21-18(20-14)13-6-4-3-5-7-13/h3-11,22H,1-2H3
InChIKeyRLWHSJAFRLFUIE-UHFFFAOYSA-N
XLogP2.85
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one?
The IUPAC name of 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one (CID 173108297) is 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one?
The canonical SMILES for 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one is COc1cc(C=CC2=NC(c3ccccc3)=NC2=O)cc(OC)c1O.
What is the InChIKey of 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one?
The InChIKey is RLWHSJAFRLFUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-15-10-12(11-16(25-2)17(15)22)8-9-14-19(23)21-18(20-14)13-6-4-3-5-7-13/h3-11,22H,1-2H3.
What are the key properties of 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one?
5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one has a molecular weight of 336.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenylimidazol-4-one is sourced from PubChem (CID 173108297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).