2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile

C15H17N3O3 — CID 82148290

IUPAC2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESCCOc1ccc(C2(CC)NC(=O)N(CC#N)C2=O)cc1
InChIInChI=1S/C15H17N3O3/c1-3-15(11-5-7-12(8-6-11)21-4-2)13(19)18(10-9-16)14(20)17-15/h5-8H,3-4,10H2,1-2H3,(H,17,20)
InChIKeySSKSHEXXSDVIJA-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.77
Rot. Bonds5

About 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile

2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile (PubChem CID 82148290) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
PubChem CID82148290
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESCCOc1ccc(C2(CC)NC(=O)N(CC#N)C2=O)cc1
InChIInChI=1S/C15H17N3O3/c1-3-15(11-5-7-12(8-6-11)21-4-2)13(19)18(10-9-16)14(20)17-15/h5-8H,3-4,10H2,1-2H3,(H,17,20)
InChIKeySSKSHEXXSDVIJA-UHFFFAOYSA-N
XLogP1.77
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile
CID 82148240
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 82148239
N-(4-ethoxyphenyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595517
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
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-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16548597
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
(5S)-3-(2-ethoxyethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8521699

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile (CID 82148290) is 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile is CCOc1ccc(C2(CC)NC(=O)N(CC#N)C2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The InChIKey is SSKSHEXXSDVIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-15(11-5-7-12(8-6-11)21-4-2)13(19)18(10-9-16)14(20)17-15/h5-8H,3-4,10H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile has a molecular weight of 287.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 82148290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).