2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal

C28H28N2O4 — CID 174302540

IUPAC2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
SMILESCc1cc(CN2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)cc(C)c1OC(C)(C)C=O
InChIInChI=1S/C28H28N2O4/c1-19-14-21(15-20(2)26(19)34-28(3,4)18-31)16-30-25(32)17-29(27(30)33)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-15,18H,16-17H2,1-4H3
InChIKeyYXKYBQIXTYLISK-UHFFFAOYSA-N
MW456.54 g/mol
LogP5.30
Rot. Bonds7

About 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal

2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal (PubChem CID 174302540) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal.

Molecular Properties

Compound Name2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
PubChem CID174302540
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
SMILESCc1cc(CN2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)cc(C)c1OC(C)(C)C=O
InChIInChI=1S/C28H28N2O4/c1-19-14-21(15-20(2)26(19)34-28(3,4)18-31)16-30-25(32)17-29(27(30)33)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-15,18H,16-17H2,1-4H3
InChIKeyYXKYBQIXTYLISK-UHFFFAOYSA-N
XLogP5.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal with MolForge

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Related Compounds

ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 170066443
2-[4-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
CID 170067262
ethyl 2-[2,6-dimethyl-4-[[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 170066320
3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174303131
3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174302476
2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 170066843
3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 174302698
ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 170067836
ethyl 2-[2,6-dimethyl-4-[[3-(4-methylthiophen-2-yl)-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 171773782
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione
CID 47048861
2-[5-[[2,5-dioxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]cyclohepta-1,4,6-trien-1-yl]oxy-2-methylpropanoic acid
CID 170067357
3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione
CID 18725118

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal?
The IUPAC name of 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal (CID 174302540) is 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal.
What is the SMILES notation for 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal?
The canonical SMILES for 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal is Cc1cc(CN2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)cc(C)c1OC(C)(C)C=O.
What is the InChIKey of 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal?
The InChIKey is YXKYBQIXTYLISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-19-14-21(15-20(2)26(19)34-28(3,4)18-31)16-30-25(32)17-29(27(30)33)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-15,18H,16-17H2,1-4H3.
What are the key properties of 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal?
2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal has a molecular weight of 456.54 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal is sourced from PubChem (CID 174302540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).