(2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone

C12H13FN2O — CID 141152785

IUPAC(2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone
SMILESCN1CCN/C1=C\C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-15-7-6-14-12(15)8-11(16)9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3/b12-8+
InChIKeyNUNCFXJRUMKWAO-XYOKQWHBSA-N
MW220.25 g/mol
LogP1.38
Rot. Bonds2

About (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone

(2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone (PubChem CID 141152785) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone
PubChem CID141152785
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone
SMILESCN1CCN/C1=C\C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-15-7-6-14-12(15)8-11(16)9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3/b12-8+
InChIKeyNUNCFXJRUMKWAO-XYOKQWHBSA-N
XLogP1.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanone, 2-(2-imidazolidinylidene)-1-phenyl-
CID 821546
2-(1,3-Diazinan-2-ylidene)-1-(4-fluorophenyl)ethanone
CID 10922028
1-(4-Fluoro-phenyl)-2-imidazolidin-2-ylidene-ethanone
CID 11217994
(2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone
CID 5389116
1-Phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
CID 763506
(E)-2-benzoyl-3-(2-sulfanylideneimidazolidin-1-yl)prop-2-enenitrile
CID 44565560
(2Z)-1-phenyl-2-[(2-sulfanylideneimidazolidin-1-yl)methylidene]butane-1,3-dione
CID 44565564
Ethanone, 1-phenyl-2-(tetrahydro-2(1H)-pyrimidinylidene)-
CID 359959
8-benzoyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 10331855
1-(4-Methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
CID 744467
(Z)-3-Ethylamino-1-phenyl-propenone
CID 58582559
4-Methyl-2-phenacyl-2-trifluoromethylimidazolidine
CID 15397104

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone?
The IUPAC name of (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone (CID 141152785) is (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone.
What is the SMILES notation for (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone?
The canonical SMILES for (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone is CN1CCN/C1=C\C(=O)c1ccc(F)cc1.
What is the InChIKey of (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone?
The InChIKey is NUNCFXJRUMKWAO-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15-7-6-14-12(15)8-11(16)9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3/b12-8+.
What are the key properties of (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone?
(2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone has a molecular weight of 220.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-fluorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone is sourced from PubChem (CID 141152785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).