3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile

C15H19N3O — CID 116982524

IUPAC3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1ccc(C2CN(CCC#N)C(=O)N2C)c(C)c1
InChIInChI=1S/C15H19N3O/c1-11-5-6-13(12(2)9-11)14-10-18(8-4-7-16)15(19)17(14)3/h5-6,9,14H,4,8,10H2,1-3H3
InChIKeyNXVYQQYVATXEET-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.63
Rot. Bonds3

About 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile

3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile (PubChem CID 116982524) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile
PubChem CID116982524
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1ccc(C2CN(CCC#N)C(=O)N2C)c(C)c1
InChIInChI=1S/C15H19N3O/c1-11-5-6-13(12(2)9-11)14-10-18(8-4-7-16)15(19)17(14)3/h5-6,9,14H,4,8,10H2,1-3H3
InChIKeyNXVYQQYVATXEET-UHFFFAOYSA-N
XLogP2.63
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982515
4-(2,5-dimethylphenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116981231
2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile
CID 116982461
2-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982438
1-(2-hydroxyethyl)-3-methyl-4-(2,3,4-trimethylphenyl)imidazolidin-2-one
CID 116981962
4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116979999
3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 116982510
1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)-3-methylimidazolidin-2-one
CID 116983036
1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 116981435
3-methyl-1-[2-(methylamino)ethyl]-4-(4-methylphenyl)imidazolidin-2-one
CID 116981228
1-ethyl-4-(2-methoxy-4,5-dimethylphenyl)-3-methylimidazolidin-2-one
CID 116983035
3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980283

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile (CID 116982524) is 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile is Cc1ccc(C2CN(CCC#N)C(=O)N2C)c(C)c1.
What is the InChIKey of 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile?
The InChIKey is NXVYQQYVATXEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-5-6-13(12(2)9-11)14-10-18(8-4-7-16)15(19)17(14)3/h5-6,9,14H,4,8,10H2,1-3H3.
What are the key properties of 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile?
3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile has a molecular weight of 257.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 116982524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).