1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione

C9H15BrN2O2 — CID 141473454

IUPAC1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCC(Br)N1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C9H15BrN2O2/c1-4-5-6(10)12-8(14)11-7(13)9(12,2)3/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyQXRZUULGYOLQPL-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.84
Rot. Bonds3

About 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione

1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 141473454) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID141473454
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCC(Br)N1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C9H15BrN2O2/c1-4-5-6(10)12-8(14)11-7(13)9(12,2)3/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyQXRZUULGYOLQPL-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione (CID 141473454) is 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione is CCCC(Br)N1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QXRZUULGYOLQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-4-5-6(10)12-8(14)11-7(13)9(12,2)3/h6H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione?
1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 263.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 141473454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).