[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C21H19BrN2O5 — CID 41170271

IUPAC[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C21H19BrN2O5/c1-2-21(15-6-4-3-5-7-15)19(27)24(20(28)23-21)12-18(26)29-13-17(25)14-8-10-16(22)11-9-14/h3-11H,2,12-13H2,1H3,(H,23,28)/t21-/m1/s1
InChIKeyVDYCYRVLQVYMJY-OAQYLSRUSA-N
MW459.30 g/mol
LogP3.03
Rot. Bonds7

About [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 41170271) has the molecular formula C21H19BrN2O5 and a molecular weight of 459.30 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID41170271
Molecular FormulaC21H19BrN2O5
Molecular Weight459.30 g/mol
Exact Mass458.05
IUPAC Name[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C21H19BrN2O5/c1-2-21(15-6-4-3-5-7-15)19(27)24(20(28)23-21)12-18(26)29-13-17(25)14-8-10-16(22)11-9-14/h3-11H,2,12-13H2,1H3,(H,23,28)/t21-/m1/s1
InChIKeyVDYCYRVLQVYMJY-OAQYLSRUSA-N
XLogP3.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 53.03
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-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309960
[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794129
3-[2-(4-aminophenyl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 68734886
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55698044
2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8894074
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709342
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55445207

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 41170271) is [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)c2ccc(Br)cc2)C1=O.
What is the InChIKey of [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is VDYCYRVLQVYMJY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19BrN2O5/c1-2-21(15-6-4-3-5-7-15)19(27)24(20(28)23-21)12-18(26)29-13-17(25)14-8-10-16(22)11-9-14/h3-11H,2,12-13H2,1H3,(H,23,28)/t21-/m1/s1.
What are the key properties of [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 459.30 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 41170271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).