3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione

C13H23BrN2O2 — CID 65006074

IUPAC3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione
SMILESCCCC(CBr)(CCC)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H23BrN2O2/c1-4-6-13(9-14,7-5-2)10-16-11(17)8-15(3)12(16)18/h4-10H2,1-3H3
InChIKeyVMCMAKVOWBHYNK-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.86
Rot. Bonds7

About 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione

3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione (PubChem CID 65006074) has the molecular formula C13H23BrN2O2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione
PubChem CID65006074
Molecular FormulaC13H23BrN2O2
Molecular Weight319.24 g/mol
Exact Mass318.09
IUPAC Name3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione
SMILESCCCC(CBr)(CCC)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H23BrN2O2/c1-4-6-13(9-14,7-5-2)10-16-11(17)8-15(3)12(16)18/h4-10H2,1-3H3
InChIKeyVMCMAKVOWBHYNK-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione (CID 65006074) is 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione is CCCC(CBr)(CCC)CN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is VMCMAKVOWBHYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O2/c1-4-6-13(9-14,7-5-2)10-16-11(17)8-15(3)12(16)18/h4-10H2,1-3H3.
What are the key properties of 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione?
3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 319.24 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 65006074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).