3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile

C16H19N3O3 — CID 82148239

IUPAC3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
SMILESCCC1(c2ccc(OC)cc2)NC(=O)N(CC(C)C#N)C1=O
InChIInChI=1S/C16H19N3O3/c1-4-16(12-5-7-13(22-3)8-6-12)14(20)19(15(21)18-16)10-11(2)9-17/h5-8,11H,4,10H2,1-3H3,(H,18,21)
InChIKeyVHTMZVLVEDOJRE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.01
Rot. Bonds5

About 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile

3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile (PubChem CID 82148239) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
PubChem CID82148239
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
SMILESCCC1(c2ccc(OC)cc2)NC(=O)N(CC(C)C#N)C1=O
InChIInChI=1S/C16H19N3O3/c1-4-16(12-5-7-13(22-3)8-6-12)14(20)19(15(21)18-16)10-11(2)9-17/h5-8,11H,4,10H2,1-3H3,(H,18,21)
InChIKeyVHTMZVLVEDOJRE-UHFFFAOYSA-N
XLogP2.01
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.01
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-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile
CID 82148240
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595657
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 7595546
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 55409939
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
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 9060380
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7802367

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile (CID 82148239) is 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile is CCC1(c2ccc(OC)cc2)NC(=O)N(CC(C)C#N)C1=O.
What is the InChIKey of 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile?
The InChIKey is VHTMZVLVEDOJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-16(12-5-7-13(22-3)8-6-12)14(20)19(15(21)18-16)10-11(2)9-17/h5-8,11H,4,10H2,1-3H3,(H,18,21).
What are the key properties of 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile?
3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile has a molecular weight of 301.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 82148239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).