1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one

C13H13BrN2O3 — CID 86022284

IUPAC1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one
SMILESCC(=O)N1CCN(CC(=O)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H13BrN2O3/c1-9(17)16-7-6-15(13(16)19)8-12(18)10-2-4-11(14)5-3-10/h2-5H,6-8H2,1H3
InChIKeyYADRTLFTGCUYLR-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.92
Rot. Bonds3

About 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one

1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one (PubChem CID 86022284) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one
PubChem CID86022284
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one
SMILESCC(=O)N1CCN(CC(=O)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H13BrN2O3/c1-9(17)16-7-6-15(13(16)19)8-12(18)10-2-4-11(14)5-3-10/h2-5H,6-8H2,1H3
InChIKeyYADRTLFTGCUYLR-UHFFFAOYSA-N
XLogP1.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one (CID 86022284) is 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one is CC(=O)N1CCN(CC(=O)c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one?
The InChIKey is YADRTLFTGCUYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-9(17)16-7-6-15(13(16)19)8-12(18)10-2-4-11(14)5-3-10/h2-5H,6-8H2,1H3.
What are the key properties of 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one?
1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one has a molecular weight of 325.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[2-(4-bromophenyl)-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 86022284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).