1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione

C11H17BrN2O3 — CID 64998725

IUPAC1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione
SMILESCCC(CC)(CBr)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C11H17BrN2O3/c1-4-11(5-2,6-12)7-14-9(16)8(15)13(3)10(14)17/h4-7H2,1-3H3
InChIKeyJKAVVDGNBSSFER-UHFFFAOYSA-N
MW305.17 g/mol
LogP1.61
Rot. Bonds5

About 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione

1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 64998725) has the molecular formula C11H17BrN2O3 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID64998725
Molecular FormulaC11H17BrN2O3
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione
SMILESCCC(CC)(CBr)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C11H17BrN2O3/c1-4-11(5-2,6-12)7-14-9(16)8(15)13(3)10(14)17/h4-7H2,1-3H3
InChIKeyJKAVVDGNBSSFER-UHFFFAOYSA-N
XLogP1.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione (CID 64998725) is 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione is CCC(CC)(CBr)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is JKAVVDGNBSSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3/c1-4-11(5-2,6-12)7-14-9(16)8(15)13(3)10(14)17/h4-7H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione?
1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 305.17 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-2-ethylbutyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 64998725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).