1-hexyl-3-propyl-2H-imidazole;hydroiodide

C12H25IN2 — CID 173007691

IUPAC1-hexyl-3-propyl-2H-imidazole;hydroiodide
SMILESCCCCCCN1C=CN(CCC)C1.I
InChIInChI=1S/C12H24N2.HI/c1-3-5-6-7-9-14-11-10-13(12-14)8-4-2;/h10-11H,3-9,12H2,1-2H3;1H
InChIKeyCQRFOYULSYNGJN-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.64
Rot. Bonds7

About 1-hexyl-3-propyl-2H-imidazole;hydroiodide

1-hexyl-3-propyl-2H-imidazole;hydroiodide (PubChem CID 173007691) has the molecular formula C12H25IN2 and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-hexyl-3-propyl-2H-imidazole;hydroiodide.

Molecular Properties

Compound Name1-hexyl-3-propyl-2H-imidazole;hydroiodide
PubChem CID173007691
Molecular FormulaC12H25IN2
Molecular Weight324.25 g/mol
Exact Mass324.11
IUPAC Name1-hexyl-3-propyl-2H-imidazole;hydroiodide
SMILESCCCCCCN1C=CN(CCC)C1.I
InChIInChI=1S/C12H24N2.HI/c1-3-5-6-7-9-14-11-10-13(12-14)8-4-2;/h10-11H,3-9,12H2,1-2H3;1H
InChIKeyCQRFOYULSYNGJN-UHFFFAOYSA-N
XLogP3.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-ethyl-3-octyl-2H-imidazole;hydroiodide
CID 173446352
1-decyl-3-ethyl-2H-imidazole
CID 19864130

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-propyl-2H-imidazole;hydroiodide?
The IUPAC name of 1-hexyl-3-propyl-2H-imidazole;hydroiodide (CID 173007691) is 1-hexyl-3-propyl-2H-imidazole;hydroiodide.
What is the SMILES notation for 1-hexyl-3-propyl-2H-imidazole;hydroiodide?
The canonical SMILES for 1-hexyl-3-propyl-2H-imidazole;hydroiodide is CCCCCCN1C=CN(CCC)C1.I.
What is the InChIKey of 1-hexyl-3-propyl-2H-imidazole;hydroiodide?
The InChIKey is CQRFOYULSYNGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.HI/c1-3-5-6-7-9-14-11-10-13(12-14)8-4-2;/h10-11H,3-9,12H2,1-2H3;1H.
What are the key properties of 1-hexyl-3-propyl-2H-imidazole;hydroiodide?
1-hexyl-3-propyl-2H-imidazole;hydroiodide has a molecular weight of 324.25 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-propyl-2H-imidazole;hydroiodide is sourced from PubChem (CID 173007691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).