1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide

C24H46I2N6 — CID 161080795

IUPAC1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide
SMILESCCCN1C=CN(C)C1C.CC[n+]1ccn(C(C)C)c1.CC[n+]1ccn(C(C)C)c1.[I-].[I-]
InChIInChI=1S/2C8H15N2.C8H16N2.2HI/c2*1-4-9-5-6-10(7-9)8(2)3;1-4-5-10-7-6-9(3)8(10)2;;/h2*5-8H,4H2,1-3H3;6-8H,4-5H2,1-3H3;2*1H/q2*+1;;;/p-2
InChIKeyNHVHEPKFNVFBJZ-UHFFFAOYSA-L
MW672.48 g/mol
LogP-1.78
Rot. Bonds6

About 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide

1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide (PubChem CID 161080795) has the molecular formula C24H46I2N6 and a molecular weight of 672.48 g/mol. Its IUPAC name is 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide
PubChem CID161080795
Molecular FormulaC24H46I2N6
Molecular Weight672.48 g/mol
Exact Mass672.19
IUPAC Name1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide
SMILESCCCN1C=CN(C)C1C.CC[n+]1ccn(C(C)C)c1.CC[n+]1ccn(C(C)C)c1.[I-].[I-]
InChIInChI=1S/2C8H15N2.C8H16N2.2HI/c2*1-4-9-5-6-10(7-9)8(2)3;1-4-5-10-7-6-9(3)8(10)2;;/h2*5-8H,4H2,1-3H3;6-8H,4-5H2,1-3H3;2*1H/q2*+1;;;/p-2
InChIKeyNHVHEPKFNVFBJZ-UHFFFAOYSA-L
XLogP-1.78
TPSA24.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.48
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-3-propyl-2H-imidazole;hydrate
CID 172840578
acetic acid;1,2-dimethyl-3-propyl-2H-imidazole
CID 175284905
1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702
1,2-dimethyl-3-undecyl-2H-imidazole
CID 69386948
1,2-dimethyl-3-pentadecyl-2H-imidazole
CID 69388793
1-(2-methylpropyl)-3-propan-2-ylimidazol-1-ium bromide
CID 126743980
1-ethyl-3-octan-2-ylimidazol-1-ium
CID 175596786
2-(3-ethylimidazol-3-ium-1-yl)-2-methoxyacetaldehyde iodide
CID 141270887
1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid
CID 175868504
1-[2-[2-(2,3-dimethyl-2H-imidazol-1-yl)ethoxy]ethyl]-2,3-dimethyl-2H-imidazole
CID 71268064
1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate
CID 174775383
1-(13-methyltetradecyl)-3-propan-2-ylimidazol-1-ium
CID 87807453

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide?
The IUPAC name of 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide (CID 161080795) is 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide.
What is the SMILES notation for 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide?
The canonical SMILES for 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide is CCCN1C=CN(C)C1C.CC[n+]1ccn(C(C)C)c1.CC[n+]1ccn(C(C)C)c1.[I-].[I-].
What is the InChIKey of 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide?
The InChIKey is NHVHEPKFNVFBJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H15N2.C8H16N2.2HI/c2*1-4-9-5-6-10(7-9)8(2)3;1-4-5-10-7-6-9(3)8(10)2;;/h2*5-8H,4H2,1-3H3;6-8H,4-5H2,1-3H3;2*1H/q2*+1;;;/p-2.
What are the key properties of 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide?
1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide has a molecular weight of 672.48 g/mol, XLogP of -1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide is sourced from PubChem (CID 161080795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).