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

C20H41ClN2 — CID 67895736

IUPAC2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1.Cl
InChIInChI=1S/C20H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;/h2-19H2,1H3,(H,21,22);1H
InChIKeyIXSXQWMXSQIKON-UHFFFAOYSA-N
MW345.02 g/mol
LogP6.67
Rot. Bonds16

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

2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 67895736) has the molecular formula C20H41ClN2 and a molecular weight of 345.02 g/mol. Its IUPAC name is 2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID67895736
Molecular FormulaC20H41ClN2
Molecular Weight345.02 g/mol
Exact Mass344.30
IUPAC Name2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1.Cl
InChIInChI=1S/C20H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;/h2-19H2,1H3,(H,21,22);1H
InChIKeyIXSXQWMXSQIKON-UHFFFAOYSA-N
XLogP6.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.02
LogP ≤ 56.67
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-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride (CID 67895736) is 2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride is CCCCCCCCCCCCCCCCCC1=NCCN1.Cl.
What is the InChIKey of 2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is IXSXQWMXSQIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;/h2-19H2,1H3,(H,21,22);1H.
What are the key properties of 2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride?
2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 345.02 g/mol, XLogP of 6.67, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 67895736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).