2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde

C11H11FN2O2 — CID 84788522

IUPAC2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
SMILESO=CCN1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C11H11FN2O2/c12-9-2-1-3-10(8-9)14-5-4-13(6-7-15)11(14)16/h1-3,7-8H,4-6H2
InChIKeyLABDPQUDXNUUEP-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.27
Rot. Bonds3

About 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde

2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde (PubChem CID 84788522) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
PubChem CID84788522
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
SMILESO=CCN1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C11H11FN2O2/c12-9-2-1-3-10(8-9)14-5-4-13(6-7-15)11(14)16/h1-3,7-8H,4-6H2
InChIKeyLABDPQUDXNUUEP-UHFFFAOYSA-N
XLogP1.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one
CID 145225860
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
CID 167998872
2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84812554
3-(2-oxo-3-phenylimidazolidin-1-yl)propanal
CID 84786113
3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide
CID 143768763
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431
(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
CID 93114266
1-(4-bromo-3-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479507
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10064450
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
1-ethyl-3-(4-fluorophenyl)imidazolidin-2-one
CID 23201880
3-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanal
CID 117438638

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde?
The IUPAC name of 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde (CID 84788522) is 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde is O=CCN1CCN(c2cccc(F)c2)C1=O.
What is the InChIKey of 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde?
The InChIKey is LABDPQUDXNUUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-9-2-1-3-10(8-9)14-5-4-13(6-7-15)11(14)16/h1-3,7-8H,4-6H2.
What are the key properties of 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde?
2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde has a molecular weight of 222.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde is sourced from PubChem (CID 84788522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).