3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C13H21BrN2O2 — CID 65002436

IUPAC3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC2(CBr)CCCCC2)C1=O
InChIInChI=1S/C13H21BrN2O2/c1-12(2)10(17)16(11(18)15-12)9-13(8-14)6-4-3-5-7-13/h3-9H2,1-2H3,(H,15,18)
InChIKeyISJXGNLGZNTALS-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.66
Rot. Bonds3

About 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 65002436) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID65002436
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC2(CBr)CCCCC2)C1=O
InChIInChI=1S/C13H21BrN2O2/c1-12(2)10(17)16(11(18)15-12)9-13(8-14)6-4-3-5-7-13/h3-9H2,1-2H3,(H,15,18)
InChIKeyISJXGNLGZNTALS-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 65002436) is 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC2(CBr)CCCCC2)C1=O.
What is the InChIKey of 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ISJXGNLGZNTALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-12(2)10(17)16(11(18)15-12)9-13(8-14)6-4-3-5-7-13/h3-9H2,1-2H3,(H,15,18).
What are the key properties of 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 317.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 65002436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).