3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C21H22N2O5 — CID 3956240

IUPAC3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1OC
InChIInChI=1S/C21H22N2O5/c1-13-5-8-15(9-6-13)21(2)19(25)23(20(26)22-21)12-16(24)14-7-10-17(27-3)18(11-14)28-4/h5-11H,12H2,1-4H3,(H,22,26)
InChIKeyXEBHLAREJULDFT-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.66
Rot. Bonds6

About 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 3956240) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID3956240
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1OC
InChIInChI=1S/C21H22N2O5/c1-13-5-8-15(9-6-13)21(2)19(25)23(20(26)22-21)12-16(24)14-7-10-17(27-3)18(11-14)28-4/h5-11H,12H2,1-4H3,(H,22,26)
InChIKeyXEBHLAREJULDFT-UHFFFAOYSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-Dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 3559619
N-{[(3s,4s)-4-Benzylpyrrolidin-3-Yl]methyl}-4-Methoxy-3-(3-Methoxypropoxy)-N-(Propan-2-Yl)benzamide
CID 11518143
(R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46845559
(R)-4-((4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-2,5-dioxoimidazolidin-4-yl)ethynyl)benzamide
CID 52942509
(R)-5-((4-acetylphenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52944923
2-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]acetamide
CID 52949816
Idanpramine
CID 58521
3-[2-(4-Methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 8005518
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[(3,4-dimethoxyphenyl)formamido]acetamide
CID 23644770
3-[(5-Acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 2092175
3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2105606
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 4010093

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 3956240) is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is COc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is XEBHLAREJULDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13-5-8-15(9-6-13)21(2)19(25)23(20(26)22-21)12-16(24)14-7-10-17(27-3)18(11-14)28-4/h5-11H,12H2,1-4H3,(H,22,26).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 382.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3956240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).