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

C18H15Cl3N2O3 — CID 4025204

IUPAC5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H15Cl3N2O3/c1-18(11-2-4-12(19)5-3-11)16(24)23(17(25)22-18)8-9-26-15-7-6-13(20)10-14(15)21/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyJTQMVNQWMNXPMY-UHFFFAOYSA-N
MW413.69 g/mol
LogP4.49
Rot. Bonds5

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

5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 4025204) has the molecular formula C18H15Cl3N2O3 and a molecular weight of 413.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID4025204
Molecular FormulaC18H15Cl3N2O3
Molecular Weight413.69 g/mol
Exact Mass412.01
IUPAC Name5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H15Cl3N2O3/c1-18(11-2-4-12(19)5-3-11)16(24)23(17(25)22-18)8-9-26-15-7-6-13(20)10-14(15)21/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyJTQMVNQWMNXPMY-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.69
LogP ≤ 54.49
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-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617438
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5095700
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
(5R)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 2117014
(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170722
3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 60524179
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7691911
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2417216
3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 75671649
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2087631

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione (CID 4025204) is 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JTQMVNQWMNXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O3/c1-18(11-2-4-12(19)5-3-11)16(24)23(17(25)22-18)8-9-26-15-7-6-13(20)10-14(15)21/h2-7,10H,8-9H2,1H3,(H,22,25).
What are the key properties of 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 413.69 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4025204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).