1-propyl-1H-imidazol-1-ium iodide

C6H11IN2 — CID 23069668

IUPAC1-propyl-1H-imidazol-1-ium iodide
SMILESCCC[NH+]1C=CN=C1.[I-]
InChIInChI=1S/C6H10N2.HI/c1-2-4-8-5-3-7-6-8;/h3,5-6H,2,4H2,1H3;1H
InChIKeyRNHUYBMAVXTLOP-UHFFFAOYSA-N
MW238.07 g/mol
LogP-3.20
Rot. Bonds2

About 1-propyl-1H-imidazol-1-ium iodide

1-propyl-1H-imidazol-1-ium iodide (PubChem CID 23069668) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 1-propyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-propyl-1H-imidazol-1-ium iodide
PubChem CID23069668
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC Name1-propyl-1H-imidazol-1-ium iodide
SMILESCCC[NH+]1C=CN=C1.[I-]
InChIInChI=1S/C6H10N2.HI/c1-2-4-8-5-3-7-6-8;/h3,5-6H,2,4H2,1H3;1H
InChIKeyRNHUYBMAVXTLOP-UHFFFAOYSA-N
XLogP-3.20
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 5-3.20
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
1-Ethylimidazolium chloride
CID 19979778
1-methyl-1H-imidazol-1-ium
CID 59438645
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-tert-butyl-1H-imidazol-1-ium
CID 17835947
3-ethenyl-4,5-dihydro-1H-imidazol-3-ium
CID 18541991
1-methyl-1H-imidazol-1-ium iodide
CID 18699301
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 18945014
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
1-Methyl-1-propylimidazol-1-ium
CID 21658746
1-butyl-1H-imidazol-1-ium iodide
CID 21977611

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1H-imidazol-1-ium iodide?
The IUPAC name of 1-propyl-1H-imidazol-1-ium iodide (CID 23069668) is 1-propyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-propyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-propyl-1H-imidazol-1-ium iodide is CCC[NH+]1C=CN=C1.[I-].
What is the InChIKey of 1-propyl-1H-imidazol-1-ium iodide?
The InChIKey is RNHUYBMAVXTLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.HI/c1-2-4-8-5-3-7-6-8;/h3,5-6H,2,4H2,1H3;1H.
What are the key properties of 1-propyl-1H-imidazol-1-ium iodide?
1-propyl-1H-imidazol-1-ium iodide has a molecular weight of 238.07 g/mol, XLogP of -3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 23069668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).