1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione

C9H7BrN2O3S — CID 106038807

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCc2ccc(Br)s2)C1=O
InChIInChI=1S/C9H7BrN2O3S/c10-6-2-1-5(16-6)3-4-12-8(14)7(13)11-9(12)15/h1-2H,3-4H2,(H,11,13,15)
InChIKeyUBDAQKGPZLZQSG-UHFFFAOYSA-N
MW303.14 g/mol
LogP1.13
Rot. Bonds3

About 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione

1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 106038807) has the molecular formula C9H7BrN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione
PubChem CID106038807
Molecular FormulaC9H7BrN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.94
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCc2ccc(Br)s2)C1=O
InChIInChI=1S/C9H7BrN2O3S/c10-6-2-1-5(16-6)3-4-12-8(14)7(13)11-9(12)15/h1-2H,3-4H2,(H,11,13,15)
InChIKeyUBDAQKGPZLZQSG-UHFFFAOYSA-N
XLogP1.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
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-(Thiophen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 4962430
5-(5-Bromothiophen-2-yl)imidazolidine-2,4-dione
CID 57390261
1-[2-(5-Bromothiophen-2-yl)ethyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 71930296
1-(Thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 7131443
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26650821
3-[(5-Bromothiophen-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64266295
3-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
CID 114139829
1-[2-[(5-Bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 9118627
1-[[(5-Bromothiophen-2-yl)methyl-ethylamino]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 16234132
1-[2-[(5-Bromothiophen-2-yl)methyl-ethylamino]acetyl]imidazolidin-2-one
CID 16386500
1-(Thiophen-2-ylmethyl)imidazolidine-2,4-dione
CID 19919825
3-(Thiophen-2-ylmethyl)imidazolidine-2,4-dione
CID 22009569

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione (CID 106038807) is 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione is O=C1NC(=O)N(CCc2ccc(Br)s2)C1=O.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is UBDAQKGPZLZQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S/c10-6-2-1-5(16-6)3-4-12-8(14)7(13)11-9(12)15/h1-2H,3-4H2,(H,11,13,15).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione?
1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 303.14 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 106038807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).