3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C18H16Cl2N2O3 — CID 4826856

IUPAC3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C18H16Cl2N2O3/c1-18(12-6-3-2-4-7-12)16(23)22(17(24)21-18)10-11-25-15-13(19)8-5-9-14(15)20/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyNVJUMAQPTMOUEJ-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.84
Rot. Bonds5

About 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 4826856) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID4826856
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C18H16Cl2N2O3/c1-18(12-6-3-2-4-7-12)16(23)22(17(24)21-18)10-11-25-15-13(19)8-5-9-14(15)20/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyNVJUMAQPTMOUEJ-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.84
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

(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7596048
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
3-[(2,6-dichlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3887433
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
3-[2-(2,6-dichlorophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610121
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
CID 18284754
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2087631
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 51117079
5-(2-chlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4003616
(5R)-5-(2-chlorophenyl)-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 40745064

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 4826856) is 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O.
What is the InChIKey of 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is NVJUMAQPTMOUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-18(12-6-3-2-4-7-12)16(23)22(17(24)21-18)10-11-25-15-13(19)8-5-9-14(15)20/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 379.24 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 4826856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).