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

C14H17N3O — CID 116982515

IUPAC3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1ccc(C2CN(CCC#N)C(=O)N2C)cc1
InChIInChI=1S/C14H17N3O/c1-11-4-6-12(7-5-11)13-10-17(9-3-8-15)14(18)16(13)2/h4-7,13H,3,9-10H2,1-2H3
InChIKeyHLOOIIZCXGQGJY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.32
Rot. Bonds3

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

3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile (PubChem CID 116982515) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
PubChem CID116982515
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1ccc(C2CN(CCC#N)C(=O)N2C)cc1
InChIInChI=1S/C14H17N3O/c1-11-4-6-12(7-5-11)13-10-17(9-3-8-15)14(18)16(13)2/h4-7,13H,3,9-10H2,1-2H3
InChIKeyHLOOIIZCXGQGJY-UHFFFAOYSA-N
XLogP2.32
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982438
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
3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982524
1-(2-amino-2-methylpropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 116981402
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981441
1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one
CID 116981203
1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981434
1-ethyl-3-methyl-4-(4-propan-2-ylphenyl)imidazolidin-2-one
CID 116983004
3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 116982510
1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981404

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The IUPAC name of 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile (CID 116982515) is 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile is Cc1ccc(C2CN(CCC#N)C(=O)N2C)cc1.
What is the InChIKey of 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
The InChIKey is HLOOIIZCXGQGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-4-6-12(7-5-11)13-10-17(9-3-8-15)14(18)16(13)2/h4-7,13H,3,9-10H2,1-2H3.
What are the key properties of 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile?
3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile has a molecular weight of 243.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 116982515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).