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

C22H16N2O3 — CID 67343703

IUPAC5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
SMILESO=C(C=Cc1ccccc1)c1cccc(-n2cc(-c3ccco3)[nH]c2=O)c1
InChIInChI=1S/C22H16N2O3/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)
InChIKeyTYZBEYYGWALCLC-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.32
Rot. Bonds5

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

5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one (PubChem CID 67343703) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
PubChem CID67343703
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
SMILESO=C(C=Cc1ccccc1)c1cccc(-n2cc(-c3ccco3)[nH]c2=O)c1
InChIInChI=1S/C22H16N2O3/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)
InChIKeyTYZBEYYGWALCLC-UHFFFAOYSA-N
XLogP4.32
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-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

5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 89432968
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
3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 67344051
5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67342786
3-[3-(3-phenylprop-2-enoyl)phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 77270464
5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 77275878
5-(5-chlorofuran-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 89432971
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
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-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]phenyl]-5-(5-chlorofuran-2-yl)-1H-imidazol-2-one
CID 123458128

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one (CID 67343703) is 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one is O=C(C=Cc1ccccc1)c1cccc(-n2cc(-c3ccco3)[nH]c2=O)c1.
What is the InChIKey of 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?
The InChIKey is TYZBEYYGWALCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/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).
What are the key properties of 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?
5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one has a molecular weight of 356.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 67343703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).