3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile

C18H23N3O3 — CID 82148240

IUPAC3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile
SMILESCCCOc1ccc(C2(CC)NC(=O)N(CC(C)C#N)C2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-4-10-24-15-8-6-14(7-9-15)18(5-2)16(22)21(17(23)20-18)12-13(3)11-19/h6-9,13H,4-5,10,12H2,1-3H3,(H,20,23)
InChIKeyLKOQZISLWKYTTL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.79
Rot. Bonds7

About 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile

3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile (PubChem CID 82148240) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile
PubChem CID82148240
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile
SMILESCCCOc1ccc(C2(CC)NC(=O)N(CC(C)C#N)C2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-4-10-24-15-8-6-14(7-9-15)18(5-2)16(22)21(17(23)20-18)12-13(3)11-19/h6-9,13H,4-5,10,12H2,1-3H3,(H,20,23)
InChIKeyLKOQZISLWKYTTL-UHFFFAOYSA-N
XLogP2.79
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 82148239
2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148290
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
4-[2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 42976471
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile
CID 55326801
2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid
CID 75532094
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 55409939
4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 30804847
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile (CID 82148240) is 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile is CCCOc1ccc(C2(CC)NC(=O)N(CC(C)C#N)C2=O)cc1.
What is the InChIKey of 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile?
The InChIKey is LKOQZISLWKYTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-10-24-15-8-6-14(7-9-15)18(5-2)16(22)21(17(23)20-18)12-13(3)11-19/h6-9,13H,4-5,10,12H2,1-3H3,(H,20,23).
What are the key properties of 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile?
3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile has a molecular weight of 329.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 82148240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).