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

C4H7IN2 — CID 70871253

IUPAC4-methyl-1H-imidazol-1-ium iodide
SMILESCC1=C[NH2+]C=N1.[I-]
InChIInChI=1S/C4H6N2.HI/c1-4-2-5-3-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKeySEJYXXJAORTCMT-UHFFFAOYSA-N
MW210.02 g/mol
LogP-3.54
Rot. Bonds

About 4-methyl-1H-imidazol-1-ium iodide

4-methyl-1H-imidazol-1-ium iodide (PubChem CID 70871253) has the molecular formula C4H7IN2 and a molecular weight of 210.02 g/mol. Its IUPAC name is 4-methyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name4-methyl-1H-imidazol-1-ium iodide
PubChem CID70871253
Molecular FormulaC4H7IN2
Molecular Weight210.02 g/mol
Exact Mass209.97
IUPAC Name4-methyl-1H-imidazol-1-ium iodide
SMILESCC1=C[NH2+]C=N1.[I-]
InChIInChI=1S/C4H6N2.HI/c1-4-2-5-3-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKeySEJYXXJAORTCMT-UHFFFAOYSA-N
XLogP-3.54
TPSA28.97 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 ≤ 5-3.54
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

4-methyl-1H-imidazol-1-ium chloride
CID 53447252
4-(fluoromethyl)-1-methanidyl-1H-imidazol-1-ium
CID 154595149
4-methyl-1H-imidazol-1-ium
CID 59048718
CID 134978787
CID 134978787
1-methanidyl-4-methyl-1H-imidazol-1-ium
CID 21353566
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
1,4-dimethyl-1H-imidazol-1-ium
CID 59889377
N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide
CID 88893590
N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide
CID 88995086
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
CID 90453085
N'-ethyl-N-prop-1-en-2-ylmethanimidamide
CID 91052461
Copper(1+);4-methyl-1,2-dihydroimidazol-2-ide
CID 118057469

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-imidazol-1-ium iodide?
The IUPAC name of 4-methyl-1H-imidazol-1-ium iodide (CID 70871253) is 4-methyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 4-methyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 4-methyl-1H-imidazol-1-ium iodide is CC1=C[NH2+]C=N1.[I-].
What is the InChIKey of 4-methyl-1H-imidazol-1-ium iodide?
The InChIKey is SEJYXXJAORTCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.HI/c1-4-2-5-3-6-4;/h2-3H,1H3,(H,5,6);1H.
What are the key properties of 4-methyl-1H-imidazol-1-ium iodide?
4-methyl-1H-imidazol-1-ium iodide has a molecular weight of 210.02 g/mol, XLogP of -3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 70871253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).