1-methyl-1H-imidazol-1-ium iodide

C4H7IN2 — CID 18699301

IUPAC1-methyl-1H-imidazol-1-ium iodide
SMILESC[NH+]1C=CN=C1.[I-]
InChIInChI=1S/C4H6N2.HI/c1-6-3-2-5-4-6;/h2-4H,1H3;1H
InChIKeyVFLYBWGSQGMWHP-UHFFFAOYSA-N
MW210.02 g/mol
LogP-3.98
Rot. Bonds

About 1-methyl-1H-imidazol-1-ium iodide

1-methyl-1H-imidazol-1-ium iodide (PubChem CID 18699301) has the molecular formula C4H7IN2 and a molecular weight of 210.02 g/mol. Its IUPAC name is 1-methyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-methyl-1H-imidazol-1-ium iodide
PubChem CID18699301
Molecular FormulaC4H7IN2
Molecular Weight210.02 g/mol
Exact Mass209.97
IUPAC Name1-methyl-1H-imidazol-1-ium iodide
SMILESC[NH+]1C=CN=C1.[I-]
InChIInChI=1S/C4H6N2.HI/c1-6-3-2-5-4-6;/h2-4H,1H3;1H
InChIKeyVFLYBWGSQGMWHP-UHFFFAOYSA-N
XLogP-3.98
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 5-3.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethylimidazolium bromide
CID 66724526
Unii-52C2dia291
CID 518985
1-Ethylimidazolium chloride
CID 19979778
1-Methylimidazolium tetrafluoroborate
CID 57348726
1-methyl-1H-imidazol-1-ium
CID 59438645
1,1-Dimethyl-1H-imidazol-1-ium iodide
CID 13685884
Imida-zolium iodide
CID 53627966
1,3,5-Triazepine
CID 53990101
1H-imidazol-1-ium bromide
CID 66617244
Methyl 1h imidazolium fluoride
CID 69338659
1H-imidazol-1-ium
CID 4434133
1H-imidazol-1-ium chloride
CID 148244837

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1H-imidazol-1-ium iodide?
The IUPAC name of 1-methyl-1H-imidazol-1-ium iodide (CID 18699301) is 1-methyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-methyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-methyl-1H-imidazol-1-ium iodide is C[NH+]1C=CN=C1.[I-].
What is the InChIKey of 1-methyl-1H-imidazol-1-ium iodide?
The InChIKey is VFLYBWGSQGMWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.HI/c1-6-3-2-5-4-6;/h2-4H,1H3;1H.
What are the key properties of 1-methyl-1H-imidazol-1-ium iodide?
1-methyl-1H-imidazol-1-ium iodide has a molecular weight of 210.02 g/mol, XLogP of -3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 18699301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).