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

C9H17IN2O3 — CID 139925717

IUPAC4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1CC(I)N(CCOC)C1=O
InChIInChI=1S/C9H17IN2O3/c1-14-5-3-11-7-8(10)12(9(11)13)4-6-15-2/h8H,3-7H2,1-2H3
InChIKeyXXJXZTMGRFXPEY-UHFFFAOYSA-N
MW328.15 g/mol
LogP0.78
Rot. Bonds6

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

4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925717) has the molecular formula C9H17IN2O3 and a molecular weight of 328.15 g/mol. Its IUPAC name is 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925717
Molecular FormulaC9H17IN2O3
Molecular Weight328.15 g/mol
Exact Mass328.03
IUPAC Name4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1CC(I)N(CCOC)C1=O
InChIInChI=1S/C9H17IN2O3/c1-14-5-3-11-7-8(10)12(9(11)13)4-6-15-2/h8H,3-7H2,1-2H3
InChIKeyXXJXZTMGRFXPEY-UHFFFAOYSA-N
XLogP0.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925724
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
CID 90039232
3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 79282153
(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
CID 42249905
(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537136
6-cyclopropyl-1-(2-methoxyethyl)-3-propylpiperazine-2,5-dione
CID 64873961
5-hydroxy-1-(2-methoxyethyl)pyrrolidin-2-one
CID 148668115
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one
CID 117014863
(5R)-3-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056552

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925717) is 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1CC(I)N(CCOC)C1=O.
What is the InChIKey of 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is XXJXZTMGRFXPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN2O3/c1-14-5-3-11-7-8(10)12(9(11)13)4-6-15-2/h8H,3-7H2,1-2H3.
What are the key properties of 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 328.15 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).