5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole

C8H8I2N4O2 — CID 102243974

IUPAC5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole
SMILESCOn1c(I)cnc1-c1ncc(I)n1OC
InChIInChI=1S/C8H8I2N4O2/c1-15-13-5(9)3-11-7(13)8-12-4-6(10)14(8)16-2/h3-4H,1-2H3
InChIKeyWWAVZGXRIQBAJU-UHFFFAOYSA-N
MW445.99 g/mol
LogP1.07
Rot. Bonds3

About 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole

5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole (PubChem CID 102243974) has the molecular formula C8H8I2N4O2 and a molecular weight of 445.99 g/mol. Its IUPAC name is 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole.

Molecular Properties

Compound Name5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole
PubChem CID102243974
Molecular FormulaC8H8I2N4O2
Molecular Weight445.99 g/mol
Exact Mass445.87
IUPAC Name5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole
SMILESCOn1c(I)cnc1-c1ncc(I)n1OC
InChIInChI=1S/C8H8I2N4O2/c1-15-13-5(9)3-11-7(13)8-12-4-6(10)14(8)16-2/h3-4H,1-2H3
InChIKeyWWAVZGXRIQBAJU-UHFFFAOYSA-N
XLogP1.07
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-5-methoxyimidazo[1,2-a]pyridine
CID 125376171
2-iodo-1-methoxybenzimidazole
CID 3843081
3-iodo-8-methylimidazo[1,2-a]pyridine
CID 115404343
3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine
CID 59321129
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
CID 150296892
1-tert-butyl-2-iodo-5-methylimidazole
CID 146378417
2-methoxy-3-methylimidazol-4-ol
CID 126670942
1,2,5-triiodo-3-methylpyrrole
CID 129082853
ethane;5-methoxy-2-methylpyrimidine
CID 143166828
1-methoxy-4-methyl-1,5-naphthyridin-2-one
CID 141190545
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole?
The IUPAC name of 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole (CID 102243974) is 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole.
What is the SMILES notation for 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole?
The canonical SMILES for 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole is COn1c(I)cnc1-c1ncc(I)n1OC.
What is the InChIKey of 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole?
The InChIKey is WWAVZGXRIQBAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I2N4O2/c1-15-13-5(9)3-11-7(13)8-12-4-6(10)14(8)16-2/h3-4H,1-2H3.
What are the key properties of 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole?
5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole has a molecular weight of 445.99 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(5-iodo-1-methoxyimidazol-2-yl)-1-methoxyimidazole is sourced from PubChem (CID 102243974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).