(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

C21H22Cl2N2O3 — CID 7596048

IUPAC(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccc([C@@]2(C)NC(=O)N(CCOc3c(Cl)cccc3Cl)C2=O)cc1
InChIInChI=1S/C21H22Cl2N2O3/c1-13(2)14-7-9-15(10-8-14)21(3)19(26)25(20(27)24-21)11-12-28-18-16(22)5-4-6-17(18)23/h4-10,13H,11-12H2,1-3H3,(H,24,27)/t21-/m1/s1
InChIKeyKGKYHEQBACPBAS-OAQYLSRUSA-N
MW421.32 g/mol
LogP4.96
Rot. Bonds6

About (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 7596048) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID7596048
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC Name(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccc([C@@]2(C)NC(=O)N(CCOc3c(Cl)cccc3Cl)C2=O)cc1
InChIInChI=1S/C21H22Cl2N2O3/c1-13(2)14-7-9-15(10-8-14)21(3)19(26)25(20(27)24-21)11-12-28-18-16(22)5-4-6-17(18)23/h4-10,13H,11-12H2,1-3H3,(H,24,27)/t21-/m1/s1
InChIKeyKGKYHEQBACPBAS-OAQYLSRUSA-N
XLogP4.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.96
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-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
4-[2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46816762
5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
CID 18284754
(5R)-5-methyl-3-(3-oxobutyl)-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7571644
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
3-[2-(2,6-dichlorophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610121
3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 51117079
(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 51933134
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
3,5-dimethyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60585647
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (CID 7596048) is (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is CC(C)c1ccc([C@@]2(C)NC(=O)N(CCOc3c(Cl)cccc3Cl)C2=O)cc1.
What is the InChIKey of (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is KGKYHEQBACPBAS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c1-13(2)14-7-9-15(10-8-14)21(3)19(26)25(20(27)24-21)11-12-28-18-16(22)5-4-6-17(18)23/h4-10,13H,11-12H2,1-3H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 421.32 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7596048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).