4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one

C11H21BrN2O3 — CID 139925641

IUPAC4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(C)(Br)C1C
InChIInChI=1S/C11H21BrN2O3/c1-9-11(2,12)14(6-8-17-4)10(15)13(9)5-7-16-3/h9H,5-8H2,1-4H3
InChIKeyTUPAEQCIPWXMTG-UHFFFAOYSA-N
MW309.20 g/mol
LogP1.52
Rot. Bonds6

About 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one

4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one (PubChem CID 139925641) has the molecular formula C11H21BrN2O3 and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
PubChem CID139925641
Molecular FormulaC11H21BrN2O3
Molecular Weight309.20 g/mol
Exact Mass308.07
IUPAC Name4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(C)(Br)C1C
InChIInChI=1S/C11H21BrN2O3/c1-9-11(2,12)14(6-8-17-4)10(15)13(9)5-7-16-3/h9H,5-8H2,1-4H3
InChIKeyTUPAEQCIPWXMTG-UHFFFAOYSA-N
XLogP1.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
CID 139925697
4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925724
4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925714
1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one
CID 83700068
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64884815
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883200
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3846144
1,3-bis(3-methoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 118434094
5,7-bis(3-methoxypropyl)-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 118597012
4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925717
3,6,6-triethyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64885497
3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 5146903

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one?
The IUPAC name of 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one (CID 139925641) is 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one?
The canonical SMILES for 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one is COCCN1C(=O)N(CCOC)C(C)(Br)C1C.
What is the InChIKey of 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one?
The InChIKey is TUPAEQCIPWXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O3/c1-9-11(2,12)14(6-8-17-4)10(15)13(9)5-7-16-3/h9H,5-8H2,1-4H3.
What are the key properties of 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one?
4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one has a molecular weight of 309.20 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 139925641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).