1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole

C50H100N2 — CID 69395781

IUPAC1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1CCCCCCCCCCCCCCCC
InChIInChI=1S/C50H100N2/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-50-51(46-43-40-37-34-21-18-15-12-9-6-3)48-49-52(50)47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h48-50H,4-47H2,1-3H3
InChIKeyPIQZZYKXFFTDHV-UHFFFAOYSA-N
MW729.36 g/mol
LogP17.85
Rot. Bonds44

About 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole

1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole (PubChem CID 69395781) has the molecular formula C50H100N2 and a molecular weight of 729.36 g/mol. Its IUPAC name is 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
PubChem CID69395781
Molecular FormulaC50H100N2
Molecular Weight729.36 g/mol
Exact Mass728.79
IUPAC Name1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1CCCCCCCCCCCCCCCC
InChIInChI=1S/C50H100N2/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-50-51(46-43-40-37-34-21-18-15-12-9-6-3)48-49-52(50)47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h48-50H,4-47H2,1-3H3
InChIKeyPIQZZYKXFFTDHV-UHFFFAOYSA-N
XLogP17.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds44
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.36
LogP ≤ 517.85
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
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
1-dodecyl-2-hexyl-3-nonadecyl-2H-imidazole
CID 69390490

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole?
The IUPAC name of 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole (CID 69395781) is 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole?
The canonical SMILES for 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1CCCCCCCCCCCCCCCC.
What is the InChIKey of 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole?
The InChIKey is PIQZZYKXFFTDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H100N2/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-50-51(46-43-40-37-34-21-18-15-12-9-6-3)48-49-52(50)47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h48-50H,4-47H2,1-3H3.
What are the key properties of 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole?
1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole has a molecular weight of 729.36 g/mol, XLogP of 17.85, 44 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole is sourced from PubChem (CID 69395781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).