1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole

C34H68N2 — CID 69396389

IUPAC1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(CCCCCC)C1CCCCCCCCC
InChIInChI=1S/C34H68N2/c1-4-7-10-13-15-16-17-18-19-20-21-23-25-28-31-36-33-32-35(30-27-12-9-6-3)34(36)29-26-24-22-14-11-8-5-2/h32-34H,4-31H2,1-3H3
InChIKeyIKZPPYWDOITTOT-UHFFFAOYSA-N
MW504.93 g/mol
LogP11.60
Rot. Bonds28

About 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole

1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole (PubChem CID 69396389) has the molecular formula C34H68N2 and a molecular weight of 504.93 g/mol. Its IUPAC name is 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole.

Molecular Properties

Compound Name1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole
PubChem CID69396389
Molecular FormulaC34H68N2
Molecular Weight504.93 g/mol
Exact Mass504.54
IUPAC Name1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(CCCCCC)C1CCCCCCCCC
InChIInChI=1S/C34H68N2/c1-4-7-10-13-15-16-17-18-19-20-21-23-25-28-31-36-33-32-35(30-27-12-9-6-3)34(36)29-26-24-22-14-11-8-5-2/h32-34H,4-31H2,1-3H3
InChIKeyIKZPPYWDOITTOT-UHFFFAOYSA-N
XLogP11.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.93
LogP ≤ 511.60
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-nonadecyl-2,3-di(tridecyl)-2H-imidazole
CID 69396059
2-heptadecyl-1-heptyl-3-tridecyl-2H-imidazole
CID 69392439
1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
CID 69395781
2-hexyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69389120
2-heptyl-1-hexyl-3-undecyl-2H-imidazole
CID 69389908
2-decyl-1-hexyl-3-octyl-2H-imidazole
CID 69390562
1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
CID 69393336
2-octyl-1-pentyl-3-tridecyl-2H-imidazole
CID 69392381
2-hexyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69389447
1-dodecyl-2,3-dioctadecyl-2H-imidazole
CID 69396437
1,3-dihexyl-2-octadecyl-2H-imidazole
CID 69391687
1-hexadecyl-3-pentyl-2-undecyl-2H-imidazole
CID 69391035

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole?
The IUPAC name of 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole (CID 69396389) is 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole.
What is the SMILES notation for 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole?
The canonical SMILES for 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole is CCCCCCCCCCCCCCCCN1C=CN(CCCCCC)C1CCCCCCCCC.
What is the InChIKey of 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole?
The InChIKey is IKZPPYWDOITTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N2/c1-4-7-10-13-15-16-17-18-19-20-21-23-25-28-31-36-33-32-35(30-27-12-9-6-3)34(36)29-26-24-22-14-11-8-5-2/h32-34H,4-31H2,1-3H3.
What are the key properties of 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole?
1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole has a molecular weight of 504.93 g/mol, XLogP of 11.60, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole is sourced from PubChem (CID 69396389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).