3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione

C8H12Br2N2O2 — CID 22765495

IUPAC3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(C(Br)Br)C1=O
InChIInChI=1S/C8H12Br2N2O2/c1-5(2)3-11-4-6(13)12(7(9)10)8(11)14/h5,7H,3-4H2,1-2H3
InChIKeyCKFZKXXTAGVPIE-UHFFFAOYSA-N
MW328.00 g/mol
LogP1.98
Rot. Bonds3

About 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione

3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 22765495) has the molecular formula C8H12Br2N2O2 and a molecular weight of 328.00 g/mol. Its IUPAC name is 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID22765495
Molecular FormulaC8H12Br2N2O2
Molecular Weight328.00 g/mol
Exact Mass325.93
IUPAC Name3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(C(Br)Br)C1=O
InChIInChI=1S/C8H12Br2N2O2/c1-5(2)3-11-4-6(13)12(7(9)10)8(11)14/h5,7H,3-4H2,1-2H3
InChIKeyCKFZKXXTAGVPIE-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.00
LogP ≤ 51.98
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione (CID 22765495) is 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1CC(=O)N(C(Br)Br)C1=O.
What is the InChIKey of 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is CKFZKXXTAGVPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2N2O2/c1-5(2)3-11-4-6(13)12(7(9)10)8(11)14/h5,7H,3-4H2,1-2H3.
What are the key properties of 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione?
3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 328.00 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 22765495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).