1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one

C17H17N3O — CID 6450705

IUPAC1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one
SMILESO=C1N(C/C=C/c2ccccc2)CCN1c1cccnc1
InChIInChI=1S/C17H17N3O/c21-17-19(11-5-8-15-6-2-1-3-7-15)12-13-20(17)16-9-4-10-18-14-16/h1-10,14H,11-13H2/b8-5+
InChIKeyQFDUAXPDICROKG-VMPITWQZSA-N
MW279.34 g/mol
LogP3.04
Rot. Bonds4

About 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one

1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one (PubChem CID 6450705) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one
PubChem CID6450705
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one
SMILESO=C1N(C/C=C/c2ccccc2)CCN1c1cccnc1
InChIInChI=1S/C17H17N3O/c21-17-19(11-5-8-15-6-2-1-3-7-15)12-13-20(17)16-9-4-10-18-14-16/h1-10,14H,11-13H2/b8-5+
InChIKeyQFDUAXPDICROKG-VMPITWQZSA-N
XLogP3.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one (CID 6450705) is 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one is O=C1N(C/C=C/c2ccccc2)CCN1c1cccnc1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one?
The InChIKey is QFDUAXPDICROKG-VMPITWQZSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17-19(11-5-8-15-6-2-1-3-7-15)12-13-20(17)16-9-4-10-18-14-16/h1-10,14H,11-13H2/b8-5+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one?
1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one is sourced from PubChem (CID 6450705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).