1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide

C5H11IN2 — CID 23618276

IUPAC1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
SMILESCN1C=C[NH+](C)C1.[I-]
InChIInChI=1S/C5H10N2.HI/c1-6-3-4-7(2)5-6;/h3-4H,5H2,1-2H3;1H
InChIKeyYDRYLMNFLKANKC-UHFFFAOYSA-N
MW226.06 g/mol
LogP-4.12
Rot. Bonds

About 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide

1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide (PubChem CID 23618276) has the molecular formula C5H11IN2 and a molecular weight of 226.06 g/mol. Its IUPAC name is 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide.

Molecular Properties

Compound Name1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
PubChem CID23618276
Molecular FormulaC5H11IN2
Molecular Weight226.06 g/mol
Exact Mass226.00
IUPAC Name1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
SMILESCN1C=C[NH+](C)C1.[I-]
InChIInChI=1S/C5H10N2.HI/c1-6-3-4-7(2)5-6;/h3-4H,5H2,1-2H3;1H
InChIKeyYDRYLMNFLKANKC-UHFFFAOYSA-N
XLogP-4.12
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 5-4.12
H-Bond Donors ≤ 51
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 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The IUPAC name of 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide (CID 23618276) is 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide.
What is the SMILES notation for 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The canonical SMILES for 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide is CN1C=C[NH+](C)C1.[I-].
What is the InChIKey of 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The InChIKey is YDRYLMNFLKANKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.HI/c1-6-3-4-7(2)5-6;/h3-4H,5H2,1-2H3;1H.
What are the key properties of 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide has a molecular weight of 226.06 g/mol, XLogP of -4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,2-dihydroimidazol-1-ium iodide is sourced from PubChem (CID 23618276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).