4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile

C20H17N3O3 — CID 47056816

IUPAC4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCc1ccccc1C(=O)CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C20H17N3O3/c1-13-5-3-4-6-16(13)17(24)12-23-18(25)20(2,22-19(23)26)15-9-7-14(11-21)8-10-15/h3-10H,12H2,1-2H3,(H,22,26)
InChIKeyKESHNRSJKFDKAS-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.52
Rot. Bonds4

About 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile

4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 47056816) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
PubChem CID47056816
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCc1ccccc1C(=O)CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C20H17N3O3/c1-13-5-3-4-6-16(13)17(24)12-23-18(25)20(2,22-19(23)26)15-9-7-14(11-21)8-10-15/h3-10H,12H2,1-2H3,(H,22,26)
InChIKeyKESHNRSJKFDKAS-UHFFFAOYSA-N
XLogP2.52
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.52
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

4-[(4S)-4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl]benzonitrile
CID 93253019
4-[4-methyl-2,5-dioxo-1-(2-oxo-2-pyridin-4-ylethyl)imidazolidin-4-yl]benzonitrile
CID 155555500
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 18278725
N-benzyl-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138694
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55418161
4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 25479689
N-(4-acetamidophenyl)-2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40812694
4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile
CID 129398781
4-[4-methyl-2,5-dioxo-1-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidin-4-yl]benzonitrile
CID 46818021
5-ethyl-5-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62024810
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 4790492

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The IUPAC name of 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 47056816) is 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The canonical SMILES for 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile is Cc1ccccc1C(=O)CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The InChIKey is KESHNRSJKFDKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-5-3-4-6-16(13)17(24)12-23-18(25)20(2,22-19(23)26)15-9-7-14(11-21)8-10-15/h3-10H,12H2,1-2H3,(H,22,26).
What are the key properties of 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile?
4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile has a molecular weight of 347.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 47056816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).