5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile

C11H8FN3O2 — CID 107881941

IUPAC5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CN2C(=O)CNC2=O)ccc1F
InChIInChI=1S/C11H8FN3O2/c12-9-2-1-7(3-8(9)4-13)6-15-10(16)5-14-11(15)17/h1-3H,5-6H2,(H,14,17)
InChIKeyJATGIBWOKRQVME-UHFFFAOYSA-N
MW233.20 g/mol
LogP0.75
Rot. Bonds2

About 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile

5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile (PubChem CID 107881941) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
PubChem CID107881941
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CN2C(=O)CNC2=O)ccc1F
InChIInChI=1S/C11H8FN3O2/c12-9-2-1-7(3-8(9)4-13)6-15-10(16)5-14-11(15)17/h1-3H,5-6H2,(H,14,17)
InChIKeyJATGIBWOKRQVME-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107881969
5-[(2,4-dioxo-1,3-thiazinan-3-yl)methyl]-2-fluorobenzonitrile
CID 107882256
1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione
CID 82929589
1-[(3-cyano-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 114012420
5-[(5,5-diethyl-2,4-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107887891
1-[(3-cyano-4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107887296
2-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzonitrile
CID 107882041
3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112646261
5-[(5-amino-2,4-dioxopyrimidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107880872
2-fluoro-5-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzonitrile
CID 107881999
1-[(3-chloro-4-fluorophenyl)methyl]piperazine-2,6-dione
CID 103040926
5-[[4-(2-cyanopropan-2-yl)piperazin-1-yl]methyl]-2-fluorobenzonitrile
CID 107881011

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile (CID 107881941) is 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile is N#Cc1cc(CN2C(=O)CNC2=O)ccc1F.
What is the InChIKey of 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile?
The InChIKey is JATGIBWOKRQVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-9-2-1-7(3-8(9)4-13)6-15-10(16)5-14-11(15)17/h1-3H,5-6H2,(H,14,17).
What are the key properties of 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile?
5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile has a molecular weight of 233.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 107881941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).