1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione

C18H14BrFN2O4 — CID 60593622

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C18H14BrFN2O4/c1-2-26-15-6-4-3-5-14(15)22-17(24)16(23)21(18(22)25)10-11-9-12(19)7-8-13(11)20/h3-9H,2,10H2,1H3
InChIKeyLOPLJLWMQVUYJG-UHFFFAOYSA-N
MW421.22 g/mol
LogP3.48
Rot. Bonds5

About 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione

1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 60593622) has the molecular formula C18H14BrFN2O4 and a molecular weight of 421.22 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID60593622
Molecular FormulaC18H14BrFN2O4
Molecular Weight421.22 g/mol
Exact Mass420.01
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C18H14BrFN2O4/c1-2-26-15-6-4-3-5-14(15)22-17(24)16(23)21(18(22)25)10-11-9-12(19)7-8-13(11)20/h3-9H,2,10H2,1H3
InChIKeyLOPLJLWMQVUYJG-UHFFFAOYSA-N
XLogP3.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.22
LogP ≤ 53.48
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-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione (CID 60593622) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione is CCOc1ccccc1N1C(=O)C(=O)N(Cc2cc(Br)ccc2F)C1=O.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is LOPLJLWMQVUYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O4/c1-2-26-15-6-4-3-5-14(15)22-17(24)16(23)21(18(22)25)10-11-9-12(19)7-8-13(11)20/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 421.22 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 60593622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).