2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

C23H21BrN2O5 — CID 55698044

IUPAC2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)OCCc2cc3cc(Br)ccc3o2)C1=O
InChIInChI=1S/C23H21BrN2O5/c1-2-23(16-6-4-3-5-7-16)21(28)26(22(29)25-23)14-20(27)30-11-10-18-13-15-12-17(24)8-9-19(15)31-18/h3-9,12-13H,2,10-11,14H2,1H3,(H,25,29)
InChIKeyDNYFZGGHHLMXRX-UHFFFAOYSA-N
MW485.33 g/mol
LogP4.14
Rot. Bonds7

About 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 55698044) has the molecular formula C23H21BrN2O5 and a molecular weight of 485.33 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID55698044
Molecular FormulaC23H21BrN2O5
Molecular Weight485.33 g/mol
Exact Mass484.06
IUPAC Name2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)OCCc2cc3cc(Br)ccc3o2)C1=O
InChIInChI=1S/C23H21BrN2O5/c1-2-23(16-6-4-3-5-7-16)21(28)26(22(29)25-23)14-20(27)30-11-10-18-13-15-12-17(24)8-9-19(15)31-18/h3-9,12-13H,2,10-11,14H2,1H3,(H,25,29)
InChIKeyDNYFZGGHHLMXRX-UHFFFAOYSA-N
XLogP4.14
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 41170271
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8894074
2-(3-chlorophenoxy)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309988
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309960
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309926
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
3-[2-(4-aminophenyl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 68734886
[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55445207
(2,4-dimethylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55332610
2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
CID 55762404
(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16550582

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (CID 55698044) is 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is CCC1(c2ccccc2)NC(=O)N(CC(=O)OCCc2cc3cc(Br)ccc3o2)C1=O.
What is the InChIKey of 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is DNYFZGGHHLMXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O5/c1-2-23(16-6-4-3-5-7-16)21(28)26(22(29)25-23)14-20(27)30-11-10-18-13-15-12-17(24)8-9-19(15)31-18/h3-9,12-13H,2,10-11,14H2,1H3,(H,25,29).
What are the key properties of 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 485.33 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 55698044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).