2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one

C10H16Br2N2O2 — CID 13125054

IUPAC2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN(C(=O)C(Br)Br)C1C(C)(C)C
InChIInChI=1S/C10H16Br2N2O2/c1-10(2,3)9-13(4)6(15)5-14(9)8(16)7(11)12/h7,9H,5H2,1-4H3
InChIKeyDWCMGXFIKQLREZ-UHFFFAOYSA-N
MW356.06 g/mol
LogP1.78
Rot. Bonds1

About 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one

2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one (PubChem CID 13125054) has the molecular formula C10H16Br2N2O2 and a molecular weight of 356.06 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one
PubChem CID13125054
Molecular FormulaC10H16Br2N2O2
Molecular Weight356.06 g/mol
Exact Mass353.96
IUPAC Name2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN(C(=O)C(Br)Br)C1C(C)(C)C
InChIInChI=1S/C10H16Br2N2O2/c1-10(2,3)9-13(4)6(15)5-14(9)8(16)7(11)12/h7,9H,5H2,1-4H3
InChIKeyDWCMGXFIKQLREZ-UHFFFAOYSA-N
XLogP1.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one?
The IUPAC name of 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one (CID 13125054) is 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one?
The canonical SMILES for 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one is CN1C(=O)CN(C(=O)C(Br)Br)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one?
The InChIKey is DWCMGXFIKQLREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2O2/c1-10(2,3)9-13(4)6(15)5-14(9)8(16)7(11)12/h7,9H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one?
2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one has a molecular weight of 356.06 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 13125054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).