1-pentadecyl-3-tridecyl-2H-imidazole

C31H62N2 — CID 69396629

IUPAC1-pentadecyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1
InChIInChI=1S/C31H62N2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33-30-29-32(31-33)27-25-23-21-19-17-14-12-10-8-6-4-2/h29-30H,3-28,31H2,1-2H3
InChIKeyNDKDJZLXLBMUOJ-UHFFFAOYSA-N
MW462.85 g/mol
LogP10.43
Rot. Bonds26

About 1-pentadecyl-3-tridecyl-2H-imidazole

1-pentadecyl-3-tridecyl-2H-imidazole (PubChem CID 69396629) has the molecular formula C31H62N2 and a molecular weight of 462.85 g/mol. Its IUPAC name is 1-pentadecyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name1-pentadecyl-3-tridecyl-2H-imidazole
PubChem CID69396629
Molecular FormulaC31H62N2
Molecular Weight462.85 g/mol
Exact Mass462.49
IUPAC Name1-pentadecyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1
InChIInChI=1S/C31H62N2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33-30-29-32(31-33)27-25-23-21-19-17-14-12-10-8-6-4-2/h29-30H,3-28,31H2,1-2H3
InChIKeyNDKDJZLXLBMUOJ-UHFFFAOYSA-N
XLogP10.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 510.43
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-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-decyl-3-ethyl-2H-imidazole
CID 19864130
1-hexyl-3-propyl-2H-imidazole;hydroiodide
CID 173007691
1-ethyl-3-hexyl-2H-imidazole;hydrobromide
CID 173078365
1-ethyl-3-octyl-2H-imidazole;hydroiodide
CID 173446352

Frequently Asked Questions

What is the IUPAC name of 1-pentadecyl-3-tridecyl-2H-imidazole?
The IUPAC name of 1-pentadecyl-3-tridecyl-2H-imidazole (CID 69396629) is 1-pentadecyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 1-pentadecyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 1-pentadecyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1.
What is the InChIKey of 1-pentadecyl-3-tridecyl-2H-imidazole?
The InChIKey is NDKDJZLXLBMUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33-30-29-32(31-33)27-25-23-21-19-17-14-12-10-8-6-4-2/h29-30H,3-28,31H2,1-2H3.
What are the key properties of 1-pentadecyl-3-tridecyl-2H-imidazole?
1-pentadecyl-3-tridecyl-2H-imidazole has a molecular weight of 462.85 g/mol, XLogP of 10.43, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69396629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).