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

C10H15BrN2O3 — CID 65012329

IUPAC1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione
SMILESCC(C)C(CBr)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H15BrN2O3/c1-6(2)7(4-11)5-13-9(15)8(14)12(3)10(13)16/h6-7H,4-5H2,1-3H3
InChIKeyIADWIVFUDXBMSM-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.07
Rot. Bonds4

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

1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 65012329) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID65012329
Molecular FormulaC10H15BrN2O3
Molecular Weight291.15 g/mol
Exact Mass290.03
IUPAC Name1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione
SMILESCC(C)C(CBr)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H15BrN2O3/c1-6(2)7(4-11)5-13-9(15)8(14)12(3)10(13)16/h6-7H,4-5H2,1-3H3
InChIKeyIADWIVFUDXBMSM-UHFFFAOYSA-N
XLogP1.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.07
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)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione (CID 65012329) is 1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione is CC(C)C(CBr)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is IADWIVFUDXBMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-6(2)7(4-11)5-13-9(15)8(14)12(3)10(13)16/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione?
1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 291.15 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 65012329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).