3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile

C16H19N3O2 — CID 82148616

IUPAC3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
SMILESCCC1(c2ccc(C)c(C)c2)NC(=O)N(CCC#N)C1=O
InChIInChI=1S/C16H19N3O2/c1-4-16(13-7-6-11(2)12(3)10-13)14(20)19(9-5-8-17)15(21)18-16/h6-7,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyDEWYZQPMINVCNO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds4

About 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile

3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile (PubChem CID 82148616) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
PubChem CID82148616
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
SMILESCCC1(c2ccc(C)c(C)c2)NC(=O)N(CCC#N)C1=O
InChIInChI=1S/C16H19N3O2/c1-4-16(13-7-6-11(2)12(3)10-13)14(20)19(9-5-8-17)15(21)18-16/h6-7,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyDEWYZQPMINVCNO-UHFFFAOYSA-N
XLogP2.37
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione
CID 82147813
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532088
3-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
3-(3-aminopropyl)-5-ethyl-5-(4-methoxy-3-methylphenyl)imidazolidine-2,4-dione
CID 82147903
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46583189
3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 112774127
2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148290
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
CID 82302226
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile (CID 82148616) is 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile is CCC1(c2ccc(C)c(C)c2)NC(=O)N(CCC#N)C1=O.
What is the InChIKey of 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile?
The InChIKey is DEWYZQPMINVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-16(13-7-6-11(2)12(3)10-13)14(20)19(9-5-8-17)15(21)18-16/h6-7,10H,4-5,9H2,1-3H3,(H,18,21).
What are the key properties of 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile?
3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile has a molecular weight of 285.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 82148616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).