1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one

C18H16F2N2O — CID 101141393

IUPAC1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one
SMILESO=C(C(Cc1ccc(F)cc1)=C1NCCN1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O/c19-14-5-1-12(2-6-14)11-16(18-21-9-10-22-18)17(23)13-3-7-15(20)8-4-13/h1-8,21-22H,9-11H2
InChIKeyLURFHVBVGADANH-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.79
Rot. Bonds4

About 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one

1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one (PubChem CID 101141393) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one
PubChem CID101141393
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one
SMILESO=C(C(Cc1ccc(F)cc1)=C1NCCN1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O/c19-14-5-1-12(2-6-14)11-16(18-21-9-10-22-18)17(23)13-3-7-15(20)8-4-13/h1-8,21-22H,9-11H2
InChIKeyLURFHVBVGADANH-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-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 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one?
The IUPAC name of 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one (CID 101141393) is 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one is O=C(C(Cc1ccc(F)cc1)=C1NCCN1)c1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one?
The InChIKey is LURFHVBVGADANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c19-14-5-1-12(2-6-14)11-16(18-21-9-10-22-18)17(23)13-3-7-15(20)8-4-13/h1-8,21-22H,9-11H2.
What are the key properties of 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one?
1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one has a molecular weight of 314.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one is sourced from PubChem (CID 101141393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).