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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Related Compounds

3-[2-(Bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64998622
3-[[1-(Bromomethyl)cyclopentyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 65001075
3-[[1-(Bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 65001884
2-(2-azaspiro[4.5]decan-2-yl)-N-carbamoylpropanamide
CID 72126050
1-(4,4-Dimethylcyclohexyl)imidazolidine-2,4,5-trione
CID 21566324
1-(Cyclohexylmethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 64218488
3-(3,3-Dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 129255484
5,5-Dimethyl-3-(2,2,5,5-tetramethylheptan-4-yl)imidazolidine-2,4-dione
CID 143659362
1-(7-Aminospiro[3.5]nonan-2-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 171536772
1-(8-Bromooctyl)-5,5-dimethylimidazolidine-2,4-dione
CID 176187415
1-Butyl-3-[4-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-4-methylcyclohexyl]urea
CID 177981674
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8385000

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).