4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile

C10H7F2N3O — CID 116980021

IUPAC4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile
SMILESN#CN1CC(c2ccc(F)c(F)c2)NC1=O
InChIInChI=1S/C10H7F2N3O/c11-7-2-1-6(3-8(7)12)9-4-15(5-13)10(16)14-9/h1-3,9H,4H2,(H,14,16)
InChIKeyLYVINBSCEFGSQG-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.51
Rot. Bonds1

About 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile

4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile (PubChem CID 116980021) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile
PubChem CID116980021
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile
SMILESN#CN1CC(c2ccc(F)c(F)c2)NC1=O
InChIInChI=1S/C10H7F2N3O/c11-7-2-1-6(3-8(7)12)9-4-15(5-13)10(16)14-9/h1-3,9H,4H2,(H,14,16)
InChIKeyLYVINBSCEFGSQG-UHFFFAOYSA-N
XLogP1.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoimidazolidine-1-carbonitrile
CID 116980072
2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
CID 116980073
2-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)imidazolidine-1-carbonitrile
CID 116980052
4-(3,4-difluorophenyl)azetidin-2-one
CID 64665569
3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980248
4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116979999
2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980141
4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one
CID 20709282
4-(3,4-difluorophenyl)-1-[(1R)-1-phenylethyl]-1,3-diazinan-2-one
CID 59975359
(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one
CID 67459920
2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980124
4-(1-benzofuran-3-yl)-2-oxoimidazolidine-1-carbonitrile
CID 116980096

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile?
The IUPAC name of 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile (CID 116980021) is 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile is N#CN1CC(c2ccc(F)c(F)c2)NC1=O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile?
The InChIKey is LYVINBSCEFGSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-7-2-1-6(3-8(7)12)9-4-15(5-13)10(16)14-9/h1-3,9H,4H2,(H,14,16).
What are the key properties of 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile?
4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile has a molecular weight of 223.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile is sourced from PubChem (CID 116980021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).