1-pentyl-3-propyl-2H-imidazole;hydrochloride

C11H23ClN2 — CID 173025272

IUPAC1-pentyl-3-propyl-2H-imidazole;hydrochloride
SMILESCCCCCN1C=CN(CCC)C1.Cl
InChIInChI=1S/C11H22N2.ClH/c1-3-5-6-8-13-10-9-12(11-13)7-4-2;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyFKXIRRSEIUBEGK-UHFFFAOYSA-N
MW218.77 g/mol
LogP3.05
Rot. Bonds6

About 1-pentyl-3-propyl-2H-imidazole;hydrochloride

1-pentyl-3-propyl-2H-imidazole;hydrochloride (PubChem CID 173025272) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 1-pentyl-3-propyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1-pentyl-3-propyl-2H-imidazole;hydrochloride
PubChem CID173025272
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name1-pentyl-3-propyl-2H-imidazole;hydrochloride
SMILESCCCCCN1C=CN(CCC)C1.Cl
InChIInChI=1S/C11H22N2.ClH/c1-3-5-6-8-13-10-9-12(11-13)7-4-2;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyFKXIRRSEIUBEGK-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-propyl-2H-imidazole;hydroiodide
CID 173007691
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
1-decyl-3-ethyl-2H-imidazole
CID 19864130
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-propyl-2H-imidazole;hydrochloride?
The IUPAC name of 1-pentyl-3-propyl-2H-imidazole;hydrochloride (CID 173025272) is 1-pentyl-3-propyl-2H-imidazole;hydrochloride.
What is the SMILES notation for 1-pentyl-3-propyl-2H-imidazole;hydrochloride?
The canonical SMILES for 1-pentyl-3-propyl-2H-imidazole;hydrochloride is CCCCCN1C=CN(CCC)C1.Cl.
What is the InChIKey of 1-pentyl-3-propyl-2H-imidazole;hydrochloride?
The InChIKey is FKXIRRSEIUBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.ClH/c1-3-5-6-8-13-10-9-12(11-13)7-4-2;/h9-10H,3-8,11H2,1-2H3;1H.
What are the key properties of 1-pentyl-3-propyl-2H-imidazole;hydrochloride?
1-pentyl-3-propyl-2H-imidazole;hydrochloride has a molecular weight of 218.77 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-propyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 173025272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).