2-octyl-4,5-dihydro-1H-imidazole;hydrochloride

C11H23ClN2 — CID 3045694

IUPAC2-octyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCCCCCCCCC1=NCCN1.Cl
InChIInChI=1S/C11H22N2.ClH/c1-2-3-4-5-6-7-8-11-12-9-10-13-11;/h2-10H2,1H3,(H,12,13);1H
InChIKeySTEVKJXKYWZZQK-UHFFFAOYSA-N
MW218.77 g/mol
LogP3.16
Rot. Bonds7

About 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride

2-octyl-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 3045694) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-octyl-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID3045694
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name2-octyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCCCCCCCCC1=NCCN1.Cl
InChIInChI=1S/C11H22N2.ClH/c1-2-3-4-5-6-7-8-11-12-9-10-13-11;/h2-10H2,1H3,(H,12,13);1H
InChIKeySTEVKJXKYWZZQK-UHFFFAOYSA-N
XLogP3.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride (CID 3045694) is 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride is CCCCCCCCC1=NCCN1.Cl.
What is the InChIKey of 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is STEVKJXKYWZZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.ClH/c1-2-3-4-5-6-7-8-11-12-9-10-13-11;/h2-10H2,1H3,(H,12,13);1H.
What are the key properties of 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride?
2-octyl-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 218.77 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 3045694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).