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

C32H64N2 — CID 69395493

IUPAC1-propyl-2,3-di(tridecyl)-2H-imidazole
SMILESCCCCCCCCCCCCCC1N(CCC)C=CN1CCCCCCCCCCCCC
InChIInChI=1S/C32H64N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-32-33(28-6-3)30-31-34(32)29-26-24-22-20-18-16-14-12-10-8-5-2/h30-32H,4-29H2,1-3H3
InChIKeyIPMZOYPGQRHVHN-UHFFFAOYSA-N
MW476.88 g/mol
LogP10.82
Rot. Bonds26

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

1-propyl-2,3-di(tridecyl)-2H-imidazole (PubChem CID 69395493) has the molecular formula C32H64N2 and a molecular weight of 476.88 g/mol. Its IUPAC name is 1-propyl-2,3-di(tridecyl)-2H-imidazole.

Molecular Properties

Compound Name1-propyl-2,3-di(tridecyl)-2H-imidazole
PubChem CID69395493
Molecular FormulaC32H64N2
Molecular Weight476.88 g/mol
Exact Mass476.51
IUPAC Name1-propyl-2,3-di(tridecyl)-2H-imidazole
SMILESCCCCCCCCCCCCCC1N(CCC)C=CN1CCCCCCCCCCCCC
InChIInChI=1S/C32H64N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-32-33(28-6-3)30-31-34(32)29-26-24-22-20-18-16-14-12-10-8-5-2/h30-32H,4-29H2,1-3H3
InChIKeyIPMZOYPGQRHVHN-UHFFFAOYSA-N
XLogP10.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.88
LogP ≤ 510.82
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-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
CID 69391434
2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
CID 69390950
1-pentyl-3-propyl-2-tridecyl-2H-imidazole
CID 69386489
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 1-propyl-2,3-di(tridecyl)-2H-imidazole?
The IUPAC name of 1-propyl-2,3-di(tridecyl)-2H-imidazole (CID 69395493) is 1-propyl-2,3-di(tridecyl)-2H-imidazole.
What is the SMILES notation for 1-propyl-2,3-di(tridecyl)-2H-imidazole?
The canonical SMILES for 1-propyl-2,3-di(tridecyl)-2H-imidazole is CCCCCCCCCCCCCC1N(CCC)C=CN1CCCCCCCCCCCCC.
What is the InChIKey of 1-propyl-2,3-di(tridecyl)-2H-imidazole?
The InChIKey is IPMZOYPGQRHVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-32-33(28-6-3)30-31-34(32)29-26-24-22-20-18-16-14-12-10-8-5-2/h30-32H,4-29H2,1-3H3.
What are the key properties of 1-propyl-2,3-di(tridecyl)-2H-imidazole?
1-propyl-2,3-di(tridecyl)-2H-imidazole has a molecular weight of 476.88 g/mol, XLogP of 10.82, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2,3-di(tridecyl)-2H-imidazole is sourced from PubChem (CID 69395493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).