3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one

C22H16N2O2S — CID 67344051

IUPAC3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
SMILESO=C(/C=C/c1ccccc1)c1cccc(-n2cc(-c3cccs3)[nH]c2=O)c1
InChIInChI=1S/C22H16N2O2S/c25-20(12-11-16-6-2-1-3-7-16)17-8-4-9-18(14-17)24-15-19(23-22(24)26)21-10-5-13-27-21/h1-15H,(H,23,26)/b12-11+
InChIKeyOFLMYGZOQBWTET-VAWYXSNFSA-N
MW372.45 g/mol
LogP4.79
Rot. Bonds5

About 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one

3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one (PubChem CID 67344051) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
PubChem CID67344051
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC Name3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
SMILESO=C(/C=C/c1ccccc1)c1cccc(-n2cc(-c3cccs3)[nH]c2=O)c1
InChIInChI=1S/C22H16N2O2S/c25-20(12-11-16-6-2-1-3-7-16)17-8-4-9-18(14-17)24-15-19(23-22(24)26)21-10-5-13-27-21/h1-15H,(H,23,26)/b12-11+
InChIKeyOFLMYGZOQBWTET-VAWYXSNFSA-N
XLogP4.79
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-phenylprop-2-enoyl)phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 77270464
3-[3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 67343417
5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67341365
5-(4-methylphenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 77473324
5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67343703
5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67342786
3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 77270255
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 75254619
5-(5-chlorofuran-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 89432971
5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 77275878
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
CID 67342824
5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 89432968

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one (CID 67344051) is 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one is O=C(/C=C/c1ccccc1)c1cccc(-n2cc(-c3cccs3)[nH]c2=O)c1.
What is the InChIKey of 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one?
The InChIKey is OFLMYGZOQBWTET-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H16N2O2S/c25-20(12-11-16-6-2-1-3-7-16)17-8-4-9-18(14-17)24-15-19(23-22(24)26)21-10-5-13-27-21/h1-15H,(H,23,26)/b12-11+.
What are the key properties of 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one?
3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one has a molecular weight of 372.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 67344051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).