4-iodo-5-methylimidazolidin-2-one

C4H7IN2O — CID 147926542

IUPAC4-iodo-5-methylimidazolidin-2-one
SMILESCC1NC(=O)NC1I
InChIInChI=1S/C4H7IN2O/c1-2-3(5)7-4(8)6-2/h2-3H,1H3,(H2,6,7,8)
InChIKeyIJAMKSPSLHBESP-UHFFFAOYSA-N
MW226.02 g/mol
LogP0.45
Rot. Bonds

About 4-iodo-5-methylimidazolidin-2-one

4-iodo-5-methylimidazolidin-2-one (PubChem CID 147926542) has the molecular formula C4H7IN2O and a molecular weight of 226.02 g/mol. Its IUPAC name is 4-iodo-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-iodo-5-methylimidazolidin-2-one
PubChem CID147926542
Molecular FormulaC4H7IN2O
Molecular Weight226.02 g/mol
Exact Mass225.96
IUPAC Name4-iodo-5-methylimidazolidin-2-one
SMILESCC1NC(=O)NC1I
InChIInChI=1S/C4H7IN2O/c1-2-3(5)7-4(8)6-2/h2-3H,1H3,(H2,6,7,8)
InChIKeyIJAMKSPSLHBESP-UHFFFAOYSA-N
XLogP0.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methylimidazolidin-2-one?
The IUPAC name of 4-iodo-5-methylimidazolidin-2-one (CID 147926542) is 4-iodo-5-methylimidazolidin-2-one.
What is the SMILES notation for 4-iodo-5-methylimidazolidin-2-one?
The canonical SMILES for 4-iodo-5-methylimidazolidin-2-one is CC1NC(=O)NC1I.
What is the InChIKey of 4-iodo-5-methylimidazolidin-2-one?
The InChIKey is IJAMKSPSLHBESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2O/c1-2-3(5)7-4(8)6-2/h2-3H,1H3,(H2,6,7,8).
What are the key properties of 4-iodo-5-methylimidazolidin-2-one?
4-iodo-5-methylimidazolidin-2-one has a molecular weight of 226.02 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methylimidazolidin-2-one is sourced from PubChem (CID 147926542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).