3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione

C23H28N2O3 — CID 174302698

IUPAC3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCCC(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(C)cc3)C2=O)cc1C
InChIInChI=1S/C23H28N2O3/c1-6-18(5)28-22-16(3)11-19(12-17(22)4)13-25-21(26)14-24(23(25)27)20-9-7-15(2)8-10-20/h7-12,18H,6,13-14H2,1-5H3
InChIKeyWKXNNBHLBLDOGT-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.76
Rot. Bonds6

About 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione

3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 174302698) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID174302698
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCCC(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(C)cc3)C2=O)cc1C
InChIInChI=1S/C23H28N2O3/c1-6-18(5)28-22-16(3)11-19(12-17(22)4)13-25-21(26)14-24(23(25)27)20-9-7-15(2)8-10-20/h7-12,18H,6,13-14H2,1-5H3
InChIKeyWKXNNBHLBLDOGT-UHFFFAOYSA-N
XLogP4.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2,6-dimethyl-4-[[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 170066320
2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
CID 174302540
ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 170066443
2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 170066843
3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174303131
ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 170067260
2-[4-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
CID 170067262
1-(4-chlorophenyl)-3-ethylimidazolidine-2,4-dione
CID 60837616
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 63501583
(5E)-5-[[3-bromo-4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126250665
(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126244518
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 177364678

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 174302698) is 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione is CCC(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(C)cc3)C2=O)cc1C.
What is the InChIKey of 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is WKXNNBHLBLDOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-6-18(5)28-22-16(3)11-19(12-17(22)4)13-25-21(26)14-24(23(25)27)20-9-7-15(2)8-10-20/h7-12,18H,6,13-14H2,1-5H3.
What are the key properties of 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 380.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 174302698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).