1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione

C18H15ClN2O4 — CID 18079393

IUPAC1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2ccccc2)C(=O)N1CCOc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O4/c19-14-7-4-8-15(11-14)25-10-9-20-16(22)17(23)21(18(20)24)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyJJFHFFKLRFSKEV-UHFFFAOYSA-N
MW358.78 g/mol
LogP2.71
Rot. Bonds6

About 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione

1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione (PubChem CID 18079393) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione
PubChem CID18079393
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2ccccc2)C(=O)N1CCOc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O4/c19-14-7-4-8-15(11-14)25-10-9-20-16(22)17(23)21(18(20)24)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyJJFHFFKLRFSKEV-UHFFFAOYSA-N
XLogP2.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.71
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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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 9451980
2-[4-(3-chlorophenoxy)butyl]isoindole-1,3-dione
CID 170886143
1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione
CID 33301380
(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 41142324
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione
CID 146122496
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933
1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 60604194
1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one
CID 18098879
(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 26201595

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione (CID 18079393) is 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(Cc2ccccc2)C(=O)N1CCOc1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is JJFHFFKLRFSKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-14-7-4-8-15(11-14)25-10-9-20-16(22)17(23)21(18(20)24)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2.
What are the key properties of 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 358.78 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 18079393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).