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

C20H20N2O5 — CID 3889864

IUPAC3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C20H20N2O5/c1-20(14-7-5-4-6-8-14)18(24)22(19(25)21-20)12-15(23)13-9-10-16(26-2)17(11-13)27-3/h4-11H,12H2,1-3H3,(H,21,25)
InChIKeyIGNGBYMICMKFLP-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.35
Rot. Bonds6

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

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 3889864) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID3889864
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C20H20N2O5/c1-20(14-7-5-4-6-8-14)18(24)22(19(25)21-20)12-15(23)13-9-10-16(26-2)17(11-13)27-3/h4-11H,12H2,1-3H3,(H,21,25)
InChIKeyIGNGBYMICMKFLP-UHFFFAOYSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.35
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)-5-((4-acetylphenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52944923
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-((4-methoxyphenyl)ethynyl)imidazolidine-2,4-dione
CID 52947338
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(phenylethynyl)imidazolidine-2,4-dione
CID 52948549
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(m-tolylethynyl)imidazolidine-2,4-dione
CID 52949779
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
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
N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 155513054

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 3889864) is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is COc1ccc(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is IGNGBYMICMKFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-20(14-7-5-4-6-8-14)18(24)22(19(25)21-20)12-15(23)13-9-10-16(26-2)17(11-13)27-3/h4-11H,12H2,1-3H3,(H,21,25).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 368.39 g/mol, XLogP of 2.35, 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-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 3889864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).