3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

C17H23ClN2O3 — CID 42965848

IUPAC3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CCC1(C)NC(=O)N(CCOc2ccccc2Cl)C1=O
InChIInChI=1S/C17H23ClN2O3/c1-12(2)8-9-17(3)15(21)20(16(22)19-17)10-11-23-14-7-5-4-6-13(14)18/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChIKeyHRPXOIJIKUVGTD-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.47
Rot. Bonds7

About 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 42965848) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID42965848
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CCC1(C)NC(=O)N(CCOc2ccccc2Cl)C1=O
InChIInChI=1S/C17H23ClN2O3/c1-12(2)8-9-17(3)15(21)20(16(22)19-17)10-11-23-14-7-5-4-6-13(14)18/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChIKeyHRPXOIJIKUVGTD-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.47
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

3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4855070
(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170722
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
5-(2-chlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4003616
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7691911
(4R)-3'-[2-(2-chlorophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666015
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
N-[2-(difluoromethoxy)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804584
(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7180813
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 42964360

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 42965848) is 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is CC(C)CCC1(C)NC(=O)N(CCOc2ccccc2Cl)C1=O.
What is the InChIKey of 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is HRPXOIJIKUVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-12(2)8-9-17(3)15(21)20(16(22)19-17)10-11-23-14-7-5-4-6-13(14)18/h4-7,12H,8-11H2,1-3H3,(H,19,22).
What are the key properties of 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 338.84 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42965848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).