2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile

C11H9FN4O — CID 110185703

IUPAC2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile
SMILES[H]/N=C1\CN(CC#N)C(=O)N1c1ccccc1F
InChIInChI=1S/C11H9FN4O/c12-8-3-1-2-4-9(8)16-10(14)7-15(6-5-13)11(16)17/h1-4,14H,6-7H2/b14-10+
InChIKeyRXHRIUBMPITQMU-GXDHUFHOSA-N
MW232.22 g/mol
LogP1.57
Rot. Bonds2

About 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile

2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile (PubChem CID 110185703) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile
PubChem CID110185703
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile
SMILES[H]/N=C1\CN(CC#N)C(=O)N1c1ccccc1F
InChIInChI=1S/C11H9FN4O/c12-8-3-1-2-4-9(8)16-10(14)7-15(6-5-13)11(16)17/h1-4,14H,6-7H2/b14-10+
InChIKeyRXHRIUBMPITQMU-GXDHUFHOSA-N
XLogP1.57
TPSA71.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
CID 63646933
2-[4-(2-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 163349863
(1E)-1-[1-(cyanomethyl)-2-oxo-3-[2-(trifluoromethyl)phenyl]imidazolidin-4-ylidene]-3-[2-(trifluoromethyl)phenyl]urea
CID 110191256
3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 12880006
1-tert-butyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 79257527
1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 4065112
1-(2-fluorophenyl)-3-propylidenepyrrolidine-2,5-dione
CID 4973257
4-(2-fluorophenyl)-4-oxobutanenitrile
CID 24723821
(1E)-1-[1-(cyanomethyl)-2-oxo-3-phenylimidazolidin-4-ylidene]-3-(3,4-dichlorophenyl)urea
CID 134069172
3-(2-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835787
1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile
CID 91613846
(3aR,4S,7R,7aR)-2-(2-fluorophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11892286

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile (CID 110185703) is 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile is [H]/N=C1\CN(CC#N)C(=O)N1c1ccccc1F.
What is the InChIKey of 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile?
The InChIKey is RXHRIUBMPITQMU-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-8-3-1-2-4-9(8)16-10(14)7-15(6-5-13)11(16)17/h1-4,14H,6-7H2/b14-10+.
What are the key properties of 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile?
2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile has a molecular weight of 232.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 110185703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).