(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C20H20Cl2N2O3 — CID 7170722

IUPAC(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C20H20Cl2N2O3/c1-20(10-9-14-5-3-2-4-6-14)18(25)24(19(26)23-20)11-12-27-17-8-7-15(21)13-16(17)22/h2-8,13H,9-12H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyFXLIFHPADKOABE-HXUWFJFHSA-N
MW407.30 g/mol
LogP4.32
Rot. Bonds7

About (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 7170722) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID7170722
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C20H20Cl2N2O3/c1-20(10-9-14-5-3-2-4-6-14)18(25)24(19(26)23-20)11-12-27-17-8-7-15(21)13-16(17)22/h2-8,13H,9-12H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyFXLIFHPADKOABE-HXUWFJFHSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.32
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-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5095700
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42965848
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 8506760
N-(2,4-dichlorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2449403
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2417216
(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium
CID 7480340
3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617438
(5R)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 2117014
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
(5R)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170756
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602090

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 7170722) is (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@]1(CCc2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is FXLIFHPADKOABE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-20(10-9-14-5-3-2-4-6-14)18(25)24(19(26)23-20)11-12-27-17-8-7-15(21)13-16(17)22/h2-8,13H,9-12H2,1H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 407.30 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7170722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).