2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde

C16H14FN3O2 — CID 59636164

IUPAC2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde
SMILESCc1ccncc1N1CCN(c2ccc(C=O)c(F)c2)C1=O
InChIInChI=1S/C16H14FN3O2/c1-11-4-5-18-9-15(11)20-7-6-19(16(20)22)13-3-2-12(10-21)14(17)8-13/h2-5,8-10H,6-7H2,1H3
InChIKeySKCZHWFPCONQQL-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.79
Rot. Bonds3

About 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde

2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde (PubChem CID 59636164) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde
PubChem CID59636164
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde
SMILESCc1ccncc1N1CCN(c2ccc(C=O)c(F)c2)C1=O
InChIInChI=1S/C16H14FN3O2/c1-11-4-5-18-9-15(11)20-7-6-19(16(20)22)13-3-2-12(10-21)14(17)8-13/h2-5,8-10H,6-7H2,1H3
InChIKeySKCZHWFPCONQQL-UHFFFAOYSA-N
XLogP2.79
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874
4-acetamido-N-pyridin-3-ylbenzamide
CID 654326
N-[4-(3-methylbutylcarbamoyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57509914
(4-methylpiperazino)[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472878
(4-benzylpiperazino)[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472879
4-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 2210459
N-(pyridin-3-yl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzamide
CID 46889083
N-hydroxy-4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)benzamide
CID 71811300
N-hydroxy-4-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]benzamide
CID 71811334
N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide
CID 71811335
N-(2-aminophenyl)-4-[(6-fluoro-3-pyridinyl)methylcarbamoylamino]benzamide
CID 137658815
1-(4-Acetylphenyl)-3-(3-pyridyl)urea
CID 24819596

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde?
The IUPAC name of 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde (CID 59636164) is 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde.
What is the SMILES notation for 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde?
The canonical SMILES for 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde is Cc1ccncc1N1CCN(c2ccc(C=O)c(F)c2)C1=O.
What is the InChIKey of 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde?
The InChIKey is SKCZHWFPCONQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-11-4-5-18-9-15(11)20-7-6-19(16(20)22)13-3-2-12(10-21)14(17)8-13/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde?
2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde has a molecular weight of 299.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde is sourced from PubChem (CID 59636164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).