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

C21H24N2O4 — CID 18079330

IUPAC5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(Cc3cc(C)ccc3C)C2=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-6-7-14(2)15(10-13)12-23-19(24)21(3,22-20(23)25)16-8-9-17(26-4)18(11-16)27-5/h6-11H,12H2,1-5H3,(H,22,25)
InChIKeyFTQMLTHVWKSYDC-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.29
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 18079330) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID18079330
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(Cc3cc(C)ccc3C)C2=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-6-7-14(2)15(10-13)12-23-19(24)21(3,22-20(23)25)16-8-9-17(26-4)18(11-16)27-5/h6-11H,12H2,1-5H3,(H,22,25)
InChIKeyFTQMLTHVWKSYDC-UHFFFAOYSA-N
XLogP3.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.29
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

(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 8943293
(5R)-3-[(2-methoxy-5-methylphenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7627670
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 18166894
3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17458173
(5S)-3-[(2-chloro-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 40811441
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7987019
3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82147846
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2128781
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95295538
5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4877059

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 18079330) is 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(Cc3cc(C)ccc3C)C2=O)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FTQMLTHVWKSYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-6-7-14(2)15(10-13)12-23-19(24)21(3,22-20(23)25)16-8-9-17(26-4)18(11-16)27-5/h6-11H,12H2,1-5H3,(H,22,25).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 368.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18079330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).