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

C13H18BrF3N2O2 — CID 65001884

IUPAC3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(CC2(CBr)CCCCC2)C1=O
InChIInChI=1S/C13H18BrF3N2O2/c1-11(13(15,16)17)9(20)19(10(21)18-11)8-12(7-14)5-3-2-4-6-12/h2-8H2,1H3,(H,18,21)
InChIKeyVGUAXUMCAVPZAN-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.20
Rot. Bonds3

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

3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 65001884) has the molecular formula C13H18BrF3N2O2 and a molecular weight of 371.20 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID65001884
Molecular FormulaC13H18BrF3N2O2
Molecular Weight371.20 g/mol
Exact Mass370.05
IUPAC Name3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(CC2(CBr)CCCCC2)C1=O
InChIInChI=1S/C13H18BrF3N2O2/c1-11(13(15,16)17)9(20)19(10(21)18-11)8-12(7-14)5-3-2-4-6-12/h2-8H2,1H3,(H,18,21)
InChIKeyVGUAXUMCAVPZAN-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.20
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-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 65001884) is 3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CC1(C(F)(F)F)NC(=O)N(CC2(CBr)CCCCC2)C1=O.
What is the InChIKey of 3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is VGUAXUMCAVPZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF3N2O2/c1-11(13(15,16)17)9(20)19(10(21)18-11)8-12(7-14)5-3-2-4-6-12/h2-8H2,1H3,(H,18,21).
What are the key properties of 3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 371.20 g/mol, XLogP of 3.20, 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-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 65001884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).