1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione

C19H16Cl2N2O4 — CID 112813072

IUPAC1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
SMILESCC(c1ccccc1)N1C(=O)C(=O)N(CCOc2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C19H16Cl2N2O4/c1-12(13-5-3-2-4-6-13)23-18(25)17(24)22(19(23)26)9-10-27-16-11-14(20)7-8-15(16)21/h2-8,11-12H,9-10H2,1H3
InChIKeyMSGVMPBJTKNDSX-UHFFFAOYSA-N
MW407.25 g/mol
LogP3.92
Rot. Bonds6

About 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione

1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione (PubChem CID 112813072) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
PubChem CID112813072
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
SMILESCC(c1ccccc1)N1C(=O)C(=O)N(CCOc2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C19H16Cl2N2O4/c1-12(13-5-3-2-4-6-13)23-18(25)17(24)22(19(23)26)9-10-27-16-11-14(20)7-8-15(16)21/h2-8,11-12H,9-10H2,1H3
InChIKeyMSGVMPBJTKNDSX-UHFFFAOYSA-N
XLogP3.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione (CID 112813072) is 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione is CC(c1ccccc1)N1C(=O)C(=O)N(CCOc2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione?
The InChIKey is MSGVMPBJTKNDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-12(13-5-3-2-4-6-13)23-18(25)17(24)22(19(23)26)9-10-27-16-11-14(20)7-8-15(16)21/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione?
1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione has a molecular weight of 407.25 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 112813072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).