1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione

C11H9BrN2O4S — CID 7824253

IUPAC1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2ccc(Br)s2)C1=O
InChIInChI=1S/C11H9BrN2O4S/c1-2-13-9(16)10(17)14(11(13)18)5-6(15)7-3-4-8(12)19-7/h3-4H,2,5H2,1H3
InChIKeySUNVVMGUFIRJBS-UHFFFAOYSA-N
MW345.17 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione

1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione (PubChem CID 7824253) has the molecular formula C11H9BrN2O4S and a molecular weight of 345.17 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
PubChem CID7824253
Molecular FormulaC11H9BrN2O4S
Molecular Weight345.17 g/mol
Exact Mass343.95
IUPAC Name1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2ccc(Br)s2)C1=O
InChIInChI=1S/C11H9BrN2O4S/c1-2-13-9(16)10(17)14(11(13)18)5-6(15)7-3-4-8(12)19-7/h3-4H,2,5H2,1H3
InChIKeySUNVVMGUFIRJBS-UHFFFAOYSA-N
XLogP1.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione (CID 7824253) is 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CC(=O)c2ccc(Br)s2)C1=O.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The InChIKey is SUNVVMGUFIRJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4S/c1-2-13-9(16)10(17)14(11(13)18)5-6(15)7-3-4-8(12)19-7/h3-4H,2,5H2,1H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione has a molecular weight of 345.17 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7824253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).