1-nonadecyl-2,3-di(tridecyl)-2H-imidazole

C48H96N2 — CID 69396059

IUPAC1-nonadecyl-2,3-di(tridecyl)-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CCCCCCCCCCCCC
InChIInChI=1S/C48H96N2/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-50-47-46-49(44-41-38-35-32-29-21-18-15-12-9-6-3)48(50)43-40-37-34-31-28-20-17-14-11-8-5-2/h46-48H,4-45H2,1-3H3
InChIKeyJPHFHQZOYNXDLO-UHFFFAOYSA-N
MW701.31 g/mol
LogP17.07
Rot. Bonds42

About 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole

1-nonadecyl-2,3-di(tridecyl)-2H-imidazole (PubChem CID 69396059) has the molecular formula C48H96N2 and a molecular weight of 701.31 g/mol. Its IUPAC name is 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole.

Molecular Properties

Compound Name1-nonadecyl-2,3-di(tridecyl)-2H-imidazole
PubChem CID69396059
Molecular FormulaC48H96N2
Molecular Weight701.31 g/mol
Exact Mass700.76
IUPAC Name1-nonadecyl-2,3-di(tridecyl)-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CCCCCCCCCCCCC
InChIInChI=1S/C48H96N2/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-50-47-46-49(44-41-38-35-32-29-21-18-15-12-9-6-3)48(50)43-40-37-34-31-28-20-17-14-11-8-5-2/h46-48H,4-45H2,1-3H3
InChIKeyJPHFHQZOYNXDLO-UHFFFAOYSA-N
XLogP17.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds42
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.31
LogP ≤ 517.07
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

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
1-dodecyl-2-hexyl-3-nonadecyl-2H-imidazole
CID 69390490

Frequently Asked Questions

What is the IUPAC name of 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole?
The IUPAC name of 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole (CID 69396059) is 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole.
What is the SMILES notation for 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole?
The canonical SMILES for 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CCCCCCCCCCCCC.
What is the InChIKey of 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole?
The InChIKey is JPHFHQZOYNXDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H96N2/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-50-47-46-49(44-41-38-35-32-29-21-18-15-12-9-6-3)48(50)43-40-37-34-31-28-20-17-14-11-8-5-2/h46-48H,4-45H2,1-3H3.
What are the key properties of 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole?
1-nonadecyl-2,3-di(tridecyl)-2H-imidazole has a molecular weight of 701.31 g/mol, XLogP of 17.07, 42 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonadecyl-2,3-di(tridecyl)-2H-imidazole is sourced from PubChem (CID 69396059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).