4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one

C9H16Br2N2O3 — CID 139925714

IUPAC4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1CC(Br)(Br)N(CCOC)C1=O
InChIInChI=1S/C9H16Br2N2O3/c1-15-5-3-12-7-9(10,11)13(8(12)14)4-6-16-2/h3-7H2,1-2H3
InChIKeyWKWRFTOUENFUSO-UHFFFAOYSA-N
MW360.05 g/mol
LogP1.46
Rot. Bonds6

About 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one

4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925714) has the molecular formula C9H16Br2N2O3 and a molecular weight of 360.05 g/mol. Its IUPAC name is 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925714
Molecular FormulaC9H16Br2N2O3
Molecular Weight360.05 g/mol
Exact Mass357.95
IUPAC Name4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1CC(Br)(Br)N(CCOC)C1=O
InChIInChI=1S/C9H16Br2N2O3/c1-15-5-3-12-7-9(10,11)13(8(12)14)4-6-16-2/h3-7H2,1-2H3
InChIKeyWKWRFTOUENFUSO-UHFFFAOYSA-N
XLogP1.46
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 51.46
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-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
CID 139925641
4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925717
3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 79282153
1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one
CID 83700068
4-fluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
CID 139925697
1-bromo-3-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
CID 86590511
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
1-(3-methoxy-2,3-dimethylbutan-2-yl)-3-(2-methoxyethyl)imidazolidin-2-one
CID 139925763
3-(2-methoxyethyl)-4,5-dimethyl-2H-1,3-thiazole
CID 141189971
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64882784
1,10-bis(2-methoxyethyl)-4,7,13,16-tetrakis(prop-2-ynyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 132838608

Frequently Asked Questions

What is the IUPAC name of 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925714) is 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1CC(Br)(Br)N(CCOC)C1=O.
What is the InChIKey of 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is WKWRFTOUENFUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2N2O3/c1-15-5-3-12-7-9(10,11)13(8(12)14)4-6-16-2/h3-7H2,1-2H3.
What are the key properties of 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 360.05 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibromo-1,3-bis(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).