3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one

C26H22N2O5 — CID 77270255

IUPAC3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
SMILESCOc1cc(C=CC(=O)c2cccc(-n3cc(-c4ccccc4)[nH]c3=O)c2)cc(OC)c1O
InChIInChI=1S/C26H22N2O5/c1-32-23-13-17(14-24(33-2)25(23)30)11-12-22(29)19-9-6-10-20(15-19)28-16-21(27-26(28)31)18-7-4-3-5-8-18/h3-16,30H,1-2H3,(H,27,31)
InChIKeyXSYIJLRAMXBJHR-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.45
Rot. Bonds7

About 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one

3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one (PubChem CID 77270255) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
PubChem CID77270255
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
SMILESCOc1cc(C=CC(=O)c2cccc(-n3cc(-c4ccccc4)[nH]c3=O)c2)cc(OC)c1O
InChIInChI=1S/C26H22N2O5/c1-32-23-13-17(14-24(33-2)25(23)30)11-12-22(29)19-9-6-10-20(15-19)28-16-21(27-26(28)31)18-7-4-3-5-8-18/h3-16,30H,1-2H3,(H,27,31)
InChIKeyXSYIJLRAMXBJHR-UHFFFAOYSA-N
XLogP4.45
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 75254619
3-[3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 67343417
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
CID 67342824
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-naphthalen-2-yl-1H-imidazol-2-one
CID 67340867
5-(4-methylphenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 77473324
5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67341365
3-[3-[(E)-3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]phenyl]-5-naphthalen-2-yl-1H-imidazol-2-one
CID 89432959
5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67342786
5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 89432968
1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one
CID 123472712
3-[3-[3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]phenyl]-5-(5-chlorofuran-2-yl)-1H-imidazol-2-one
CID 123458128
3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 67344051

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one (CID 77270255) is 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one is COc1cc(C=CC(=O)c2cccc(-n3cc(-c4ccccc4)[nH]c3=O)c2)cc(OC)c1O.
What is the InChIKey of 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one?
The InChIKey is XSYIJLRAMXBJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-32-23-13-17(14-24(33-2)25(23)30)11-12-22(29)19-9-6-10-20(15-19)28-16-21(27-26(28)31)18-7-4-3-5-8-18/h3-16,30H,1-2H3,(H,27,31).
What are the key properties of 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one?
3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one has a molecular weight of 442.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 77270255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).