2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile

C11H8FN3O2 — CID 82148274

IUPAC2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESN#CCN1C(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)9-10(16)15(6-5-13)11(17)14-9/h1-4,9H,6H2,(H,14,17)
InChIKeyOKWFDDWXMWULPZ-UHFFFAOYSA-N
MW233.20 g/mol
LogP0.94
Rot. Bonds2

About 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile

2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile (PubChem CID 82148274) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
PubChem CID82148274
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESN#CCN1C(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)9-10(16)15(6-5-13)11(17)14-9/h1-4,9H,6H2,(H,14,17)
InChIKeyOKWFDDWXMWULPZ-UHFFFAOYSA-N
XLogP0.94
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-difluoro-2-oxo-3-phenyl-3,4-dihydroquinoxalin-1-yl)acetonitrile
CID 82157496
3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 82148999
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 82147805
3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione
CID 45496525
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
2-[8-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 94753367
ethyl 6-(4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17398886
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148105
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile (CID 82148274) is 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile is N#CCN1C(=O)NC(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The InChIKey is OKWFDDWXMWULPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)9-10(16)15(6-5-13)11(17)14-9/h1-4,9H,6H2,(H,14,17).
What are the key properties of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile has a molecular weight of 233.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 82148274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).