4,5-diphenyl-1-prop-2-enylimidazolidin-2-one

C18H18N2O — CID 67652327

IUPAC4,5-diphenyl-1-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)NC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H18N2O/c1-2-13-20-17(15-11-7-4-8-12-15)16(19-18(20)21)14-9-5-3-6-10-14/h2-12,16-17H,1,13H2,(H,19,21)
InChIKeyHGPNTJPVYODYQE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.68
Rot. Bonds4

About 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one

4,5-diphenyl-1-prop-2-enylimidazolidin-2-one (PubChem CID 67652327) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name4,5-diphenyl-1-prop-2-enylimidazolidin-2-one
PubChem CID67652327
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4,5-diphenyl-1-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)NC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H18N2O/c1-2-13-20-17(15-11-7-4-8-12-15)16(19-18(20)21)14-9-5-3-6-10-14/h2-12,16-17H,1,13H2,(H,19,21)
InChIKeyHGPNTJPVYODYQE-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one?
The IUPAC name of 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one (CID 67652327) is 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one is C=CCN1C(=O)NC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one?
The InChIKey is HGPNTJPVYODYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-13-20-17(15-11-7-4-8-12-15)16(19-18(20)21)14-9-5-3-6-10-14/h2-12,16-17H,1,13H2,(H,19,21).
What are the key properties of 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one?
4,5-diphenyl-1-prop-2-enylimidazolidin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 67652327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).