3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile

C13H14FN3O — CID 116980248

IUPAC3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1cc(C2CN(CCC#N)C(=O)N2)ccc1F
InChIInChI=1S/C13H14FN3O/c1-9-7-10(3-4-11(9)14)12-8-17(6-2-5-15)13(18)16-12/h3-4,7,12H,2,6,8H2,1H3,(H,16,18)
InChIKeyWDTPZIKMKLBBLP-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.11
Rot. Bonds3

About 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile

3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile (PubChem CID 116980248) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
PubChem CID116980248
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1cc(C2CN(CCC#N)C(=O)N2)ccc1F
InChIInChI=1S/C13H14FN3O/c1-9-7-10(3-4-11(9)14)12-8-17(6-2-5-15)13(18)16-12/h3-4,7,12H,2,6,8H2,1H3,(H,16,18)
InChIKeyWDTPZIKMKLBBLP-UHFFFAOYSA-N
XLogP2.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile (CID 116980248) is 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile is Cc1cc(C2CN(CCC#N)C(=O)N2)ccc1F.
What is the InChIKey of 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The InChIKey is WDTPZIKMKLBBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-7-10(3-4-11(9)14)12-8-17(6-2-5-15)13(18)16-12/h3-4,7,12H,2,6,8H2,1H3,(H,16,18).
What are the key properties of 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile has a molecular weight of 247.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 116980248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).