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

C26H24N2O5 — CID 123472712

IUPAC1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one
SMILESCOc1cc(C=CC(=O)c2cccc(N3CC(c4ccccc4)NC3=O)c2)cc(OC)c1O
InChIInChI=1S/C26H24N2O5/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/h3-15,21,30H,16H2,1-2H3,(H,27,31)
InChIKeyDLQFMAPIFVZYCR-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.58
Rot. Bonds7

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

1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one (PubChem CID 123472712) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one
PubChem CID123472712
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one
SMILESCOc1cc(C=CC(=O)c2cccc(N3CC(c4ccccc4)NC3=O)c2)cc(OC)c1O
InChIInChI=1S/C26H24N2O5/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/h3-15,21,30H,16H2,1-2H3,(H,27,31)
InChIKeyDLQFMAPIFVZYCR-UHFFFAOYSA-N
XLogP4.58
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 129407104
3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 77270255
(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 127042887
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-phenyl-1H-imidazol-2-one
CID 75254619
(E)-1-(2,6-difluorophenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8853497
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-naphthalen-2-yl-1H-imidazol-2-one
CID 67340867
N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712438
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-4-(3,4,5-trimethylphenyl)-1H-imidazol-2-one
CID 123896261
(E)-1-(2-fluorophenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8855882
(E)-1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 46871936
4-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5340673

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one?
The IUPAC name of 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one (CID 123472712) is 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one is COc1cc(C=CC(=O)c2cccc(N3CC(c4ccccc4)NC3=O)c2)cc(OC)c1O.
What is the InChIKey of 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one?
The InChIKey is DLQFMAPIFVZYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/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/h3-15,21,30H,16H2,1-2H3,(H,27,31).
What are the key properties of 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one?
1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one has a molecular weight of 444.49 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 123472712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).