1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone

C11H11FN2O — CID 11217994

IUPAC1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone
SMILESO=C(C=C1NCCN1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-4,7,13-14H,5-6H2
InChIKeyCASRYWQLDQIFRO-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.04
Rot. Bonds2

About 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone

1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone (PubChem CID 11217994) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone
PubChem CID11217994
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone
SMILESO=C(C=C1NCCN1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-4,7,13-14H,5-6H2
InChIKeyCASRYWQLDQIFRO-UHFFFAOYSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.04
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 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone (CID 11217994) is 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone is O=C(C=C1NCCN1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone?
The InChIKey is CASRYWQLDQIFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-4,7,13-14H,5-6H2.
What are the key properties of 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone?
1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone has a molecular weight of 206.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-imidazolidin-2-ylideneethanone is sourced from PubChem (CID 11217994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).