3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C16H21BrN2O3 — CID 1300284

IUPAC3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)c1cc(Br)ccc1OCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H21BrN2O3/c1-10(2)12-9-11(17)5-6-13(12)22-8-7-19-14(20)16(3,4)18-15(19)21/h5-6,9-10H,7-8H2,1-4H3,(H,18,21)
InChIKeyPYKAZAUIHYOHCS-UHFFFAOYSA-N
MW369.26 g/mol
LogP3.28
Rot. Bonds5

About 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 1300284) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID1300284
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Name3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)c1cc(Br)ccc1OCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H21BrN2O3/c1-10(2)12-9-11(17)5-6-13(12)22-8-7-19-14(20)16(3,4)18-15(19)21/h5-6,9-10H,7-8H2,1-4H3,(H,18,21)
InChIKeyPYKAZAUIHYOHCS-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976368
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
CID 2996043
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
CID 2994821
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 43243887
3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
6-(4-bromo-2-propan-2-ylphenoxy)hexan-2-one
CID 113302989
3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide
CID 115402117
5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione
CID 973291
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 1300284) is 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC(C)c1cc(Br)ccc1OCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is PYKAZAUIHYOHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-10(2)12-9-11(17)5-6-13(12)22-8-7-19-14(20)16(3,4)18-15(19)21/h5-6,9-10H,7-8H2,1-4H3,(H,18,21).
What are the key properties of 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 369.26 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 1300284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).