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

C34H68N2 — CID 69391434

IUPAC2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCC1N(CCC)C=CN1CCCCCCCCCCCCC
InChIInChI=1S/C34H68N2/c1-4-7-9-11-13-15-17-18-19-21-23-25-27-29-34-35(30-6-3)32-33-36(34)31-28-26-24-22-20-16-14-12-10-8-5-2/h32-34H,4-31H2,1-3H3
InChIKeyWIZVRAHPZCRFFQ-UHFFFAOYSA-N
MW504.93 g/mol
LogP11.60
Rot. Bonds28

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

2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole (PubChem CID 69391434) has the molecular formula C34H68N2 and a molecular weight of 504.93 g/mol. Its IUPAC name is 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
PubChem CID69391434
Molecular FormulaC34H68N2
Molecular Weight504.93 g/mol
Exact Mass504.54
IUPAC Name2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCC1N(CCC)C=CN1CCCCCCCCCCCCC
InChIInChI=1S/C34H68N2/c1-4-7-9-11-13-15-17-18-19-21-23-25-27-29-34-35(30-6-3)32-33-36(34)31-28-26-24-22-20-16-14-12-10-8-5-2/h32-34H,4-31H2,1-3H3
InChIKeyWIZVRAHPZCRFFQ-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

2-dodecyl-1-hexyl-3-propyl-2H-imidazole
CID 69389075
2-hexyl-1-octadecyl-3-propyl-2H-imidazole
CID 69390514
2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
CID 69390950
1-pentyl-3-propyl-2-tridecyl-2H-imidazole
CID 69386489
1-propyl-2,3-di(tridecyl)-2H-imidazole
CID 69395493
2-heptyl-1-propyl-3-undecyl-2H-imidazole
CID 69389082
1-nonyl-2-pentyl-3-propyl-2H-imidazole
CID 69394214
1-hexadecyl-2-octyl-3-propyl-2H-imidazole
CID 21393904
2-decyl-1-octyl-3-propyl-2H-imidazole
CID 69391911
1-decyl-2-hexyl-3-propyl-2H-imidazole
CID 69387913
2-octadecyl-1-octyl-3-pentadecyl-2H-imidazole
CID 69391949
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
CID 69390682

Frequently Asked Questions

What is the IUPAC name of 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole?
The IUPAC name of 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole (CID 69391434) is 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCCCC1N(CCC)C=CN1CCCCCCCCCCCCC.
What is the InChIKey of 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole?
The InChIKey is WIZVRAHPZCRFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N2/c1-4-7-9-11-13-15-17-18-19-21-23-25-27-29-34-35(30-6-3)32-33-36(34)31-28-26-24-22-20-16-14-12-10-8-5-2/h32-34H,4-31H2,1-3H3.
What are the key properties of 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole?
2-pentadecyl-1-propyl-3-tridecyl-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 2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69391434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).