(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

C13H16N2O4 — CID 2063611

IUPAC(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C[C@]2(C)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C13H16N2O4/c1-13(11(16)14-12(17)15-13)7-8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H2,14,15,16,17)/t13-/m0/s1
InChIKeyLMCMSORQDRGJLG-ZDUSSCGKSA-N
MW264.28 g/mol
LogP0.84
Rot. Bonds4

About (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 2063611) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID2063611
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C[C@]2(C)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C13H16N2O4/c1-13(11(16)14-12(17)15-13)7-8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H2,14,15,16,17)/t13-/m0/s1
InChIKeyLMCMSORQDRGJLG-ZDUSSCGKSA-N
XLogP0.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one
CID 138389637
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607
5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 134990734
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 97054788
5-(3,4-dimethoxyphenyl)-5-ethylimidazolidine-2,4-dione
CID 71683812
4-benzyl-3-[(3,4-dimethoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 54062999
2-[(3,4-dimethoxyphenyl)methyl]-2-[[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methyl]-5,6-dimethoxyindene-1,3-dione
CID 11679092
4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one
CID 66106580
2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8001798
5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 47003415
5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-5-[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione
CID 11189584
5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione
CID 70454826

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 2063611) is (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(C[C@]2(C)NC(=O)NC2=O)cc1OC.
What is the InChIKey of (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is LMCMSORQDRGJLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(11(16)14-12(17)15-13)7-8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H2,14,15,16,17)/t13-/m0/s1.
What are the key properties of (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 264.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2063611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).