1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione

C21H22N2O4 — CID 60604194

IUPAC1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(Cc2cccc(OCc3ccccc3)c2)C1=O
InChIInChI=1S/C21H22N2O4/c1-15(2)12-22-19(24)20(25)23(21(22)26)13-17-9-6-10-18(11-17)27-14-16-7-4-3-5-8-16/h3-11,15H,12-14H2,1-2H3
InChIKeyWFWYPTWRVPHTQT-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.21
Rot. Bonds7

About 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione

1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 60604194) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID60604194
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(Cc2cccc(OCc3ccccc3)c2)C1=O
InChIInChI=1S/C21H22N2O4/c1-15(2)12-22-19(24)20(25)23(21(22)26)13-17-9-6-10-18(11-17)27-14-16-7-4-3-5-8-16/h3-11,15H,12-14H2,1-2H3
InChIKeyWFWYPTWRVPHTQT-UHFFFAOYSA-N
XLogP3.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-phenyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60603827
1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 18079393
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
5,5-dicyclopropyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60619542
1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 84602746
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78820196
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
1-phenylmethoxy-3-propylbenzene
CID 58977798
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione (CID 60604194) is 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(Cc2cccc(OCc3ccccc3)c2)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is WFWYPTWRVPHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15(2)12-22-19(24)20(25)23(21(22)26)13-17-9-6-10-18(11-17)27-14-16-7-4-3-5-8-16/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione?
1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 366.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 60604194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).