1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one

C23H17N3O2 — CID 53311973

IUPAC1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one
SMILESO=C(/C=C/c1ccccc1)n1c(-c2cccnc2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C23H17N3O2/c27-22(14-13-18-8-3-1-4-9-18)26-21(19-10-7-15-24-16-19)17-25(23(26)28)20-11-5-2-6-12-20/h1-17H/b14-13+
InChIKeyTYUUPCCZYISLCY-BUHFOSPRSA-N
MW367.41 g/mol
LogP4.05
Rot. Bonds4

About 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one

1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one (PubChem CID 53311973) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one.

Molecular Properties

Compound Name1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one
PubChem CID53311973
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one
SMILESO=C(/C=C/c1ccccc1)n1c(-c2cccnc2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C23H17N3O2/c27-22(14-13-18-8-3-1-4-9-18)26-21(19-10-7-15-24-16-19)17-25(23(26)28)20-11-5-2-6-12-20/h1-17H/b14-13+
InChIKeyTYUUPCCZYISLCY-BUHFOSPRSA-N
XLogP4.05
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenyl-3-[(E)-3-phenylprop-2-enoyl]imidazol-2-one
CID 53311379
1-phenyl-5-pyridin-3-ylpyridin-2-one
CID 58016476
pyridin-3-yl 4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carboxylate
CID 15950843
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
1-[(E)-3-pyridin-3-ylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118679072
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-one
CID 82474288
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide
CID 171130626
1-[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3899033
6-[(E)-2-phenylethenyl]-3-pyridin-3-ylimidazo[1,2-a]pyrazine
CID 155560867
3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid
CID 75177444
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
(3S)-4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylic acid
CID 124513568

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one?
The IUPAC name of 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one (CID 53311973) is 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one.
What is the SMILES notation for 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one?
The canonical SMILES for 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one is O=C(/C=C/c1ccccc1)n1c(-c2cccnc2)cn(-c2ccccc2)c1=O.
What is the InChIKey of 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one?
The InChIKey is TYUUPCCZYISLCY-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-22(14-13-18-8-3-1-4-9-18)26-21(19-10-7-15-24-16-19)17-25(23(26)28)20-11-5-2-6-12-20/h1-17H/b14-13+.
What are the key properties of 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one?
1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one has a molecular weight of 367.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-ylimidazol-2-one is sourced from PubChem (CID 53311973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).