2-iodo-4,5-dimethylimidazol-3-ide

C5H6IN2- — CID 140576564

IUPAC2-iodo-4,5-dimethylimidazol-3-ide
SMILESCc1nc(I)[n-]c1C
InChIInChI=1S/C5H6IN2/c1-3-4(2)8-5(6)7-3/h1-2H3/q-1
InChIKeyMCQVMZQFGMFGSA-UHFFFAOYSA-N
MW221.02 g/mol
LogP1.26
Rot. Bonds

About 2-iodo-4,5-dimethylimidazol-3-ide

2-iodo-4,5-dimethylimidazol-3-ide (PubChem CID 140576564) has the molecular formula C5H6IN2- and a molecular weight of 221.02 g/mol. Its IUPAC name is 2-iodo-4,5-dimethylimidazol-3-ide.

Molecular Properties

Compound Name2-iodo-4,5-dimethylimidazol-3-ide
PubChem CID140576564
Molecular FormulaC5H6IN2-
Molecular Weight221.02 g/mol
Exact Mass220.96
IUPAC Name2-iodo-4,5-dimethylimidazol-3-ide
SMILESCc1nc(I)[n-]c1C
InChIInChI=1S/C5H6IN2/c1-3-4(2)8-5(6)7-3/h1-2H3/q-1
InChIKeyMCQVMZQFGMFGSA-UHFFFAOYSA-N
XLogP1.26
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,5-dimethylimidazol-3-ide?
The IUPAC name of 2-iodo-4,5-dimethylimidazol-3-ide (CID 140576564) is 2-iodo-4,5-dimethylimidazol-3-ide.
What is the SMILES notation for 2-iodo-4,5-dimethylimidazol-3-ide?
The canonical SMILES for 2-iodo-4,5-dimethylimidazol-3-ide is Cc1nc(I)[n-]c1C.
What is the InChIKey of 2-iodo-4,5-dimethylimidazol-3-ide?
The InChIKey is MCQVMZQFGMFGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN2/c1-3-4(2)8-5(6)7-3/h1-2H3/q-1.
What are the key properties of 2-iodo-4,5-dimethylimidazol-3-ide?
2-iodo-4,5-dimethylimidazol-3-ide has a molecular weight of 221.02 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,5-dimethylimidazol-3-ide is sourced from PubChem (CID 140576564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).