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

C18H16F2N2O — CID 10979941

IUPAC3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one
SMILESO=C(C(Cc1cccc(F)c1)=C1NCCN1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O/c19-14-6-4-13(5-7-14)17(23)16(18-21-8-9-22-18)11-12-2-1-3-15(20)10-12/h1-7,10,21-22H,8-9,11H2
InChIKeyXXYKGJBQYCHGPP-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.79
Rot. Bonds4

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

3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one (PubChem CID 10979941) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one
PubChem CID10979941
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one
SMILESO=C(C(Cc1cccc(F)c1)=C1NCCN1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O/c19-14-6-4-13(5-7-14)17(23)16(18-21-8-9-22-18)11-12-2-1-3-15(20)10-12/h1-7,10,21-22H,8-9,11H2
InChIKeyXXYKGJBQYCHGPP-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one (CID 10979941) is 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one is O=C(C(Cc1cccc(F)c1)=C1NCCN1)c1ccc(F)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one?
The InChIKey is XXYKGJBQYCHGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c19-14-6-4-13(5-7-14)17(23)16(18-21-8-9-22-18)11-12-2-1-3-15(20)10-12/h1-7,10,21-22H,8-9,11H2.
What are the key properties of 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one?
3-(3-fluorophenyl)-1-(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 3-(3-fluorophenyl)-1-(4-fluorophenyl)-2-imidazolidin-2-ylidenepropan-1-one is sourced from PubChem (CID 10979941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).