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

C13H15N3O — CID 116980283

IUPAC3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1ccccc1C1CN(CCC#N)C(=O)N1
InChIInChI=1S/C13H15N3O/c1-10-5-2-3-6-11(10)12-9-16(8-4-7-14)13(17)15-12/h2-3,5-6,12H,4,8-9H2,1H3,(H,15,17)
InChIKeyRAWCZGJQQHMJIK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.98
Rot. Bonds3

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

3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile (PubChem CID 116980283) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
PubChem CID116980283
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1ccccc1C1CN(CCC#N)C(=O)N1
InChIInChI=1S/C13H15N3O/c1-10-5-2-3-6-11(10)12-9-16(8-4-7-14)13(17)15-12/h2-3,5-6,12H,4,8-9H2,1H3,(H,15,17)
InChIKeyRAWCZGJQQHMJIK-UHFFFAOYSA-N
XLogP1.98
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile (CID 116980283) is 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile is Cc1ccccc1C1CN(CCC#N)C(=O)N1.
What is the InChIKey of 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The InChIKey is RAWCZGJQQHMJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-5-2-3-6-11(10)12-9-16(8-4-7-14)13(17)15-12/h2-3,5-6,12H,4,8-9H2,1H3,(H,15,17).
What are the key properties of 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile has a molecular weight of 229.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 116980283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).