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

C14H15N3O3 — CID 82148222

IUPAC3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
SMILESCOc1ccc(C2NC(=O)N(CC(C)C#N)C2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-9(7-15)8-17-13(18)12(16-14(17)19)10-3-5-11(20-2)6-4-10/h3-6,9,12H,8H2,1-2H3,(H,16,19)
InChIKeySWRZTCMMQJMUQR-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.45
Rot. Bonds4

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

3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile (PubChem CID 82148222) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
PubChem CID82148222
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
SMILESCOc1ccc(C2NC(=O)N(CC(C)C#N)C2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-9(7-15)8-17-13(18)12(16-14(17)19)10-3-5-11(20-2)6-4-10/h3-6,9,12H,8H2,1-2H3,(H,16,19)
InChIKeySWRZTCMMQJMUQR-UHFFFAOYSA-N
XLogP1.45
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 82148239
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148274
3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile
CID 136571570
2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
CID 82149111
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
CID 60713387
3-(4-methoxyphenoxy)-2-methylpropanenitrile
CID 43367443
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 84572007
1-ethyl-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887145
3-(1-cyclopropylethyl)-5-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83248578
2-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 99745334
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile (CID 82148222) is 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile is COc1ccc(C2NC(=O)N(CC(C)C#N)C2=O)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile?
The InChIKey is SWRZTCMMQJMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(7-15)8-17-13(18)12(16-14(17)19)10-3-5-11(20-2)6-4-10/h3-6,9,12H,8H2,1-2H3,(H,16,19).
What are the key properties of 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile?
3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile has a molecular weight of 273.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 82148222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).