3-iodo-1H-imidazol-2-one

C3H3IN2O — CID 146341806

IUPAC3-iodo-1H-imidazol-2-one
SMILESO=c1[nH]ccn1I
InChIInChI=1S/C3H3IN2O/c4-6-2-1-5-3(6)7/h1-2H,(H,5,7)
InChIKeyMXOIIPKDZURXII-UHFFFAOYSA-N
MW209.97 g/mol
LogP0.37
Rot. Bonds

About 3-iodo-1H-imidazol-2-one

3-iodo-1H-imidazol-2-one (PubChem CID 146341806) has the molecular formula C3H3IN2O and a molecular weight of 209.97 g/mol. Its IUPAC name is 3-iodo-1H-imidazol-2-one.

Molecular Properties

Compound Name3-iodo-1H-imidazol-2-one
PubChem CID146341806
Molecular FormulaC3H3IN2O
Molecular Weight209.97 g/mol
Exact Mass209.93
IUPAC Name3-iodo-1H-imidazol-2-one
SMILESO=c1[nH]ccn1I
InChIInChI=1S/C3H3IN2O/c4-6-2-1-5-3(6)7/h1-2H,(H,5,7)
InChIKeyMXOIIPKDZURXII-UHFFFAOYSA-N
XLogP0.37
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.97
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1H-imidazol-2-one?
The IUPAC name of 3-iodo-1H-imidazol-2-one (CID 146341806) is 3-iodo-1H-imidazol-2-one.
What is the SMILES notation for 3-iodo-1H-imidazol-2-one?
The canonical SMILES for 3-iodo-1H-imidazol-2-one is O=c1[nH]ccn1I.
What is the InChIKey of 3-iodo-1H-imidazol-2-one?
The InChIKey is MXOIIPKDZURXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN2O/c4-6-2-1-5-3(6)7/h1-2H,(H,5,7).
What are the key properties of 3-iodo-1H-imidazol-2-one?
3-iodo-1H-imidazol-2-one has a molecular weight of 209.97 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1H-imidazol-2-one is sourced from PubChem (CID 146341806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).