4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one

C27H24N2O6 — CID 53311292

IUPAC4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one
SMILESCOc1cc(/C=C/C(=O)n2c(-c3ccc(OC)c(OC)c3)cn(-c3ccccc3)c2=O)ccc1O
InChIInChI=1S/C27H24N2O6/c1-33-23-13-11-19(16-25(23)35-3)21-17-28(20-7-5-4-6-8-20)27(32)29(21)26(31)14-10-18-9-12-22(30)24(15-18)34-2/h4-17,30H,1-3H3/b14-10+
InChIKeyCGXSSOMVSUPILZ-GXDHUFHOSA-N
MW472.50 g/mol
LogP4.39
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one

4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one (PubChem CID 53311292) has the molecular formula C27H24N2O6 and a molecular weight of 472.50 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one
PubChem CID53311292
Molecular FormulaC27H24N2O6
Molecular Weight472.50 g/mol
Exact Mass472.16
IUPAC Name4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one
SMILESCOc1cc(/C=C/C(=O)n2c(-c3ccc(OC)c(OC)c3)cn(-c3ccccc3)c2=O)ccc1O
InChIInChI=1S/C27H24N2O6/c1-33-23-13-11-19(16-25(23)35-3)21-17-28(20-7-5-4-6-8-20)27(32)29(21)26(31)14-10-18-9-12-22(30)24(15-18)34-2/h4-17,30H,1-3H3/b14-10+
InChIKeyCGXSSOMVSUPILZ-GXDHUFHOSA-N
XLogP4.39
TPSA91.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3,4-dimethoxyphenyl)-1-phenylimidazol-2-one
CID 53311290
3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one
CID 53311889
3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-4-naphthalen-2-yl-1-phenylimidazol-2-one
CID 53311634
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3,4-dimethylphenyl)-1-phenylimidazol-2-one
CID 53311468
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174791707
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one (CID 53311292) is 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one is COc1cc(/C=C/C(=O)n2c(-c3ccc(OC)c(OC)c3)cn(-c3ccccc3)c2=O)ccc1O.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one?
The InChIKey is CGXSSOMVSUPILZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C27H24N2O6/c1-33-23-13-11-19(16-25(23)35-3)21-17-28(20-7-5-4-6-8-20)27(32)29(21)26(31)14-10-18-9-12-22(30)24(15-18)34-2/h4-17,30H,1-3H3/b14-10+.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one?
4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one has a molecular weight of 472.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one is sourced from PubChem (CID 53311292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).