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

C8H17ClN2 — CID 3053438

IUPAC2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCCCCCC1=NCCN1.Cl
InChIInChI=1S/C8H16N2.ClH/c1-2-3-4-5-8-9-6-7-10-8;/h2-7H2,1H3,(H,9,10);1H
InChIKeyRGURCFBIIFENGD-UHFFFAOYSA-N
MW176.69 g/mol
LogP1.99
Rot. Bonds4

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

2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 3053438) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID3053438
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCCCCCC1=NCCN1.Cl
InChIInChI=1S/C8H16N2.ClH/c1-2-3-4-5-8-9-6-7-10-8;/h2-7H2,1H3,(H,9,10);1H
InChIKeyRGURCFBIIFENGD-UHFFFAOYSA-N
XLogP1.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 51.99
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-pentyl-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride (CID 3053438) is 2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride is CCCCCC1=NCCN1.Cl.
What is the InChIKey of 2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is RGURCFBIIFENGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c1-2-3-4-5-8-9-6-7-10-8;/h2-7H2,1H3,(H,9,10);1H.
What are the key properties of 2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride?
2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 3053438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).