5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione

C11H10Cl2N2O3 — CID 59710477

IUPAC5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(COc2ccc(Cl)c(Cl)c2)NC(=O)NC1=O
InChIInChI=1S/C11H10Cl2N2O3/c1-11(9(16)14-10(17)15-11)5-18-6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H2,14,15,16,17)
InChIKeyYSJYVGXUDXKHAX-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.97
Rot. Bonds3

About 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione

5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 59710477) has the molecular formula C11H10Cl2N2O3 and a molecular weight of 289.12 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID59710477
Molecular FormulaC11H10Cl2N2O3
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC Name5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(COc2ccc(Cl)c(Cl)c2)NC(=O)NC1=O
InChIInChI=1S/C11H10Cl2N2O3/c1-11(9(16)14-10(17)15-11)5-18-6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H2,14,15,16,17)
InChIKeyYSJYVGXUDXKHAX-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorophenoxy)-N-{[(4r)-4-Methyl-2,5-Dioxoimidazolidin-4-Yl]methyl}acetamide
CID 86287514
3-[2-(2,3-Dichlorophenoxy)ethyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 973296
Hydantoin, 5-((p-chlorophenoxy)methyl)-5-methyl-
CID 20716
4-Imidazolidinone, 5-((4-chlorophenoxy)methyl)-5-methyl-2-thioxo-
CID 3032473
5-Methyl-5-(phenoxymethyl)-2,4-imidazolidinedione
CID 4518081
3-[2-(4-Chlorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 7998767
(2S)-N-carbamoyl-2-(3,4-dichlorophenoxy)propanamide
CID 2521513
5-[(3-Chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione
CID 142170667
(2R)-N-carbamoyl-2-(3,4-dichlorophenoxy)propanamide
CID 2521515
N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide
CID 2706528
N-carbamoyl-2-(3,4-dichlorophenoxy)acetamide
CID 2706537
5-[(2,6-Dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
CID 4143312

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione (CID 59710477) is 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione is CC1(COc2ccc(Cl)c(Cl)c2)NC(=O)NC1=O.
What is the InChIKey of 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is YSJYVGXUDXKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3/c1-11(9(16)14-10(17)15-11)5-18-6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione?
5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 289.12 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59710477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).