1-ethyl-3-octyl-2H-imidazole;hydroiodide

C13H27IN2 — CID 173446352

IUPAC1-ethyl-3-octyl-2H-imidazole;hydroiodide
SMILESCCCCCCCCN1C=CN(CC)C1.I
InChIInChI=1S/C13H26N2.HI/c1-3-5-6-7-8-9-10-15-12-11-14(4-2)13-15;/h11-12H,3-10,13H2,1-2H3;1H
InChIKeyKJXSRCHVDNLCEW-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.03
Rot. Bonds8

About 1-ethyl-3-octyl-2H-imidazole;hydroiodide

1-ethyl-3-octyl-2H-imidazole;hydroiodide (PubChem CID 173446352) has the molecular formula C13H27IN2 and a molecular weight of 338.28 g/mol. Its IUPAC name is 1-ethyl-3-octyl-2H-imidazole;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-octyl-2H-imidazole;hydroiodide
PubChem CID173446352
Molecular FormulaC13H27IN2
Molecular Weight338.28 g/mol
Exact Mass338.12
IUPAC Name1-ethyl-3-octyl-2H-imidazole;hydroiodide
SMILESCCCCCCCCN1C=CN(CC)C1.I
InChIInChI=1S/C13H26N2.HI/c1-3-5-6-7-8-9-10-15-12-11-14(4-2)13-15;/h11-12H,3-10,13H2,1-2H3;1H
InChIKeyKJXSRCHVDNLCEW-UHFFFAOYSA-N
XLogP4.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.03
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-decyl-3-ethyl-2H-imidazole
CID 19864130
1-ethyl-3-hexyl-2H-imidazole;hydrobromide
CID 173078365
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
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-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-octyl-2H-imidazole;hydroiodide?
The IUPAC name of 1-ethyl-3-octyl-2H-imidazole;hydroiodide (CID 173446352) is 1-ethyl-3-octyl-2H-imidazole;hydroiodide.
What is the SMILES notation for 1-ethyl-3-octyl-2H-imidazole;hydroiodide?
The canonical SMILES for 1-ethyl-3-octyl-2H-imidazole;hydroiodide is CCCCCCCCN1C=CN(CC)C1.I.
What is the InChIKey of 1-ethyl-3-octyl-2H-imidazole;hydroiodide?
The InChIKey is KJXSRCHVDNLCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.HI/c1-3-5-6-7-8-9-10-15-12-11-14(4-2)13-15;/h11-12H,3-10,13H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-octyl-2H-imidazole;hydroiodide?
1-ethyl-3-octyl-2H-imidazole;hydroiodide has a molecular weight of 338.28 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-octyl-2H-imidazole;hydroiodide is sourced from PubChem (CID 173446352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).