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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Heptadecylimidazoline
CID 7744
2-Imidazoline, 2-octyl-
CID 25285
2-Imidazoline, 2-propyl-
CID 27291
2-Butyl-2-imidazoline
CID 25284
2-Undecylimidazoline
CID 245858
4,5-Dihydro-2-pentyl-1H-imidazole
CID 12782
2-Heptadecyl-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
CID 45192
2-Heptadecyl-4,5-dihydro-1H-imidazole-1-ethanamine
CID 76374
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2998348
N-pentan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 3271879
N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 9551973
2-Pentadecylimidazoline
CID 224765

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).