3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one

C23H18N2O4S — CID 53311889

IUPAC3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one
SMILESCOc1cc(/C=C/C(=O)n2c(-c3cccs3)cn(-c3ccccc3)c2=O)ccc1O
InChIInChI=1S/C23H18N2O4S/c1-29-20-14-16(9-11-19(20)26)10-12-22(27)25-18(21-8-5-13-30-21)15-24(23(25)28)17-6-3-2-4-7-17/h2-15,26H,1H3/b12-10+
InChIKeyITRVVEWKCXJTJX-ZRDIBKRKSA-N
MW418.47 g/mol
LogP4.44
Rot. Bonds5

About 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one

3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one (PubChem CID 53311889) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one.

Molecular Properties

Compound Name3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one
PubChem CID53311889
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC Name3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one
SMILESCOc1cc(/C=C/C(=O)n2c(-c3cccs3)cn(-c3ccccc3)c2=O)ccc1O
InChIInChI=1S/C23H18N2O4S/c1-29-20-14-16(9-11-19(20)26)10-12-22(27)25-18(21-8-5-13-30-21)15-24(23(25)28)17-6-3-2-4-7-17/h2-15,26H,1H3/b12-10+
InChIKeyITRVVEWKCXJTJX-ZRDIBKRKSA-N
XLogP4.44
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one
CID 53311292
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3,4-dimethoxyphenyl)-1-phenylimidazol-2-one
CID 53311290
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
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
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622
bis((1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one);zinc
CID 135406700
(E)-4-(4-hydroxy-3-methoxyphenyl)-1-phenylsulfanylbut-3-en-2-one
CID 14407222

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one?
The IUPAC name of 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one (CID 53311889) is 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one.
What is the SMILES notation for 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one?
The canonical SMILES for 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one is COc1cc(/C=C/C(=O)n2c(-c3cccs3)cn(-c3ccccc3)c2=O)ccc1O.
What is the InChIKey of 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one?
The InChIKey is ITRVVEWKCXJTJX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-29-20-14-16(9-11-19(20)26)10-12-22(27)25-18(21-8-5-13-30-21)15-24(23(25)28)17-6-3-2-4-7-17/h2-15,26H,1H3/b12-10+.
What are the key properties of 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one?
3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one has a molecular weight of 418.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one is sourced from PubChem (CID 53311889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).