1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one

C24H18N2O2 — CID 53311379

IUPAC1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one
SMILESO=C(/C=C/c1ccccc1)n1c(-c2ccccc2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C24H18N2O2/c27-23(17-16-19-10-4-1-5-11-19)26-22(20-12-6-2-7-13-20)18-25(24(26)28)21-14-8-3-9-15-21/h1-18H/b17-16+
InChIKeyHGJJYFRAPVWESQ-WUKNDPDISA-N
MW366.42 g/mol
LogP4.66
Rot. Bonds4

About 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one

1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one (PubChem CID 53311379) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one.

Molecular Properties

Compound Name1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one
PubChem CID53311379
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one
SMILESO=C(/C=C/c1ccccc1)n1c(-c2ccccc2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C24H18N2O2/c27-23(17-16-19-10-4-1-5-11-19)26-22(20-12-6-2-7-13-20)18-25(24(26)28)21-14-8-3-9-15-21/h1-18H/b17-16+
InChIKeyHGJJYFRAPVWESQ-WUKNDPDISA-N
XLogP4.66
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one
CID 53311973
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3,4-dimethylphenyl)-1-phenylimidazol-2-one
CID 53311468
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-dimethoxyphenyl)-1-phenylimidazol-2-one
CID 53311290
4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one
CID 53311292
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
3-(3-phenylprop-2-enoyl)-1,3-benzothiazol-2-one
CID 53402625
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
(Z)-2-[(E)-2-phenylethenyl]but-2-enedioic acid
CID 57461899

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one?
The IUPAC name of 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one (CID 53311379) is 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one.
What is the SMILES notation for 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one?
The canonical SMILES for 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one is O=C(/C=C/c1ccccc1)n1c(-c2ccccc2)cn(-c2ccccc2)c1=O.
What is the InChIKey of 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one?
The InChIKey is HGJJYFRAPVWESQ-WUKNDPDISA-N. The full InChI is InChI=1S/C24H18N2O2/c27-23(17-16-19-10-4-1-5-11-19)26-22(20-12-6-2-7-13-20)18-25(24(26)28)21-14-8-3-9-15-21/h1-18H/b17-16+.
What are the key properties of 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one?
1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one has a molecular weight of 366.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one is sourced from PubChem (CID 53311379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).