1,3-dimethylimidazol-2-imine;hydroiodide

C5H10IN3 — CID 20530301

IUPAC1,3-dimethylimidazol-2-imine;hydroiodide
SMILESI.[H]N=c1n(C)ccn1C
InChIInChI=1S/C5H9N3.HI/c1-7-3-4-8(2)5(7)6;/h3-4,6H,1-2H3;1H
InChIKeyJNKDGBCZJDAEFN-UHFFFAOYSA-N
MW239.06 g/mol
LogP0.46
Rot. Bonds

About 1,3-dimethylimidazol-2-imine;hydroiodide

1,3-dimethylimidazol-2-imine;hydroiodide (PubChem CID 20530301) has the molecular formula C5H10IN3 and a molecular weight of 239.06 g/mol. Its IUPAC name is 1,3-dimethylimidazol-2-imine;hydroiodide.

Molecular Properties

Compound Name1,3-dimethylimidazol-2-imine;hydroiodide
PubChem CID20530301
Molecular FormulaC5H10IN3
Molecular Weight239.06 g/mol
Exact Mass238.99
IUPAC Name1,3-dimethylimidazol-2-imine;hydroiodide
SMILESI.[H]N=c1n(C)ccn1C
InChIInChI=1S/C5H9N3.HI/c1-7-3-4-8(2)5(7)6;/h3-4,6H,1-2H3;1H
InChIKeyJNKDGBCZJDAEFN-UHFFFAOYSA-N
XLogP0.46
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dimethylimidazol-2-imine;hydroiodide?
The IUPAC name of 1,3-dimethylimidazol-2-imine;hydroiodide (CID 20530301) is 1,3-dimethylimidazol-2-imine;hydroiodide.
What is the SMILES notation for 1,3-dimethylimidazol-2-imine;hydroiodide?
The canonical SMILES for 1,3-dimethylimidazol-2-imine;hydroiodide is I.[H]N=c1n(C)ccn1C.
What is the InChIKey of 1,3-dimethylimidazol-2-imine;hydroiodide?
The InChIKey is JNKDGBCZJDAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.HI/c1-7-3-4-8(2)5(7)6;/h3-4,6H,1-2H3;1H.
What are the key properties of 1,3-dimethylimidazol-2-imine;hydroiodide?
1,3-dimethylimidazol-2-imine;hydroiodide has a molecular weight of 239.06 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazol-2-imine;hydroiodide is sourced from PubChem (CID 20530301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).