2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde

C11H11BrN2O2 — CID 84812554

IUPAC2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
SMILESO=CCN1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C11H11BrN2O2/c12-9-3-1-2-4-10(9)14-6-5-13(7-8-15)11(14)16/h1-4,8H,5-7H2
InChIKeyABDYBQUMMLMUQH-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.89
Rot. Bonds3

About 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde

2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde (PubChem CID 84812554) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
PubChem CID84812554
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
SMILESO=CCN1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C11H11BrN2O2/c12-9-3-1-2-4-10(9)14-6-5-13(7-8-15)11(14)16/h1-4,8H,5-7H2
InChIKeyABDYBQUMMLMUQH-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde?
The IUPAC name of 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde (CID 84812554) is 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde is O=CCN1CCN(c2ccccc2Br)C1=O.
What is the InChIKey of 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde?
The InChIKey is ABDYBQUMMLMUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-9-3-1-2-4-10(9)14-6-5-13(7-8-15)11(14)16/h1-4,8H,5-7H2.
What are the key properties of 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde?
2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde has a molecular weight of 283.12 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde is sourced from PubChem (CID 84812554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).