5-iodo-4-methoxy-1H-imidazole

C4H5IN2O — CID 146393167

IUPAC5-iodo-4-methoxy-1H-imidazole
SMILESCOc1nc[nH]c1I
InChIInChI=1S/C4H5IN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7)
InChIKeyHZCNFVFHSPMPRO-UHFFFAOYSA-N
MW224.00 g/mol
LogP1.02
Rot. Bonds1

About 5-iodo-4-methoxy-1H-imidazole

5-iodo-4-methoxy-1H-imidazole (PubChem CID 146393167) has the molecular formula C4H5IN2O and a molecular weight of 224.00 g/mol. Its IUPAC name is 5-iodo-4-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-iodo-4-methoxy-1H-imidazole
PubChem CID146393167
Molecular FormulaC4H5IN2O
Molecular Weight224.00 g/mol
Exact Mass223.94
IUPAC Name5-iodo-4-methoxy-1H-imidazole
SMILESCOc1nc[nH]c1I
InChIInChI=1S/C4H5IN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7)
InChIKeyHZCNFVFHSPMPRO-UHFFFAOYSA-N
XLogP1.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 51.02
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 5-iodo-4-methoxy-1H-imidazole?
The IUPAC name of 5-iodo-4-methoxy-1H-imidazole (CID 146393167) is 5-iodo-4-methoxy-1H-imidazole.
What is the SMILES notation for 5-iodo-4-methoxy-1H-imidazole?
The canonical SMILES for 5-iodo-4-methoxy-1H-imidazole is COc1nc[nH]c1I.
What is the InChIKey of 5-iodo-4-methoxy-1H-imidazole?
The InChIKey is HZCNFVFHSPMPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7).
What are the key properties of 5-iodo-4-methoxy-1H-imidazole?
5-iodo-4-methoxy-1H-imidazole has a molecular weight of 224.00 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methoxy-1H-imidazole is sourced from PubChem (CID 146393167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).