[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate

C13H13IN2O4 — CID 18090807

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
SMILESCC(OC(=O)c1ccc(I)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C13H13IN2O4/c1-8(11(17)16-7-6-15-13(16)19)20-12(18)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,19)
InChIKeyHYCFEXXUZJZAOE-UHFFFAOYSA-N
MW388.16 g/mol
LogP1.39
Rot. Bonds3

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate (PubChem CID 18090807) has the molecular formula C13H13IN2O4 and a molecular weight of 388.16 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
PubChem CID18090807
Molecular FormulaC13H13IN2O4
Molecular Weight388.16 g/mol
Exact Mass387.99
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
SMILESCC(OC(=O)c1ccc(I)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C13H13IN2O4/c1-8(11(17)16-7-6-15-13(16)19)20-12(18)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,19)
InChIKeyHYCFEXXUZJZAOE-UHFFFAOYSA-N
XLogP1.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(dimethylamino)benzoate
CID 18090949
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 18091292
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate
CID 17396800
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 8951879
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 46617596
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382216
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 9H-fluorene-3-carboxylate
CID 41410396
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-pyrrol-1-ylbenzoate
CID 18092347
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-amino-3-nitrobenzoate
CID 46619837
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate (CID 18090807) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate is CC(OC(=O)c1ccc(I)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate?
The InChIKey is HYCFEXXUZJZAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O4/c1-8(11(17)16-7-6-15-13(16)19)20-12(18)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,19).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate has a molecular weight of 388.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate is sourced from PubChem (CID 18090807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).