3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

C25H24N2O4 — CID 4787753

IUPAC3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2cc(C3(C)NC(=O)N(CC(=O)c4cc(C)ccc4C)C3=O)ccc2c1
InChIInChI=1S/C25H24N2O4/c1-15-5-6-16(2)21(11-15)22(28)14-27-23(29)25(3,26-24(27)30)19-9-7-18-13-20(31-4)10-8-17(18)12-19/h5-13H,14H2,1-4H3,(H,26,30)
InChIKeyWHUFXVIHTCCDTG-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.12
Rot. Bonds5

About 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 4787753) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID4787753
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2cc(C3(C)NC(=O)N(CC(=O)c4cc(C)ccc4C)C3=O)ccc2c1
InChIInChI=1S/C25H24N2O4/c1-15-5-6-16(2)21(11-15)22(28)14-27-23(29)25(3,26-24(27)30)19-9-7-18-13-20(31-4)10-8-17(18)12-19/h5-13H,14H2,1-4H3,(H,26,30)
InChIKeyWHUFXVIHTCCDTG-UHFFFAOYSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.12
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

(5R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 27141300
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 8943293
N-(2,6-dichloro-3-methylphenyl)-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4880285
5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4877059
(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2562741
2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2098354
2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2477643
N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8570806
3-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 45354786
2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide
CID 8570824
N-[2-(4-chlorophenyl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3945063

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (CID 4787753) is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is COc1ccc2cc(C3(C)NC(=O)N(CC(=O)c4cc(C)ccc4C)C3=O)ccc2c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is WHUFXVIHTCCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-15-5-6-16(2)21(11-15)22(28)14-27-23(29)25(3,26-24(27)30)19-9-7-18-13-20(31-4)10-8-17(18)12-19/h5-13H,14H2,1-4H3,(H,26,30).
What are the key properties of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 416.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4787753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).