1,2-dipentyl-3-tridecyl-2H-imidazole

C26H52N2 — CID 69392836

IUPAC1,2-dipentyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(CCCCC)C1CCCCC
InChIInChI=1S/C26H52N2/c1-4-7-10-11-12-13-14-15-16-17-20-23-28-25-24-27(22-19-9-6-3)26(28)21-18-8-5-2/h24-26H,4-23H2,1-3H3
InChIKeyZZYHWGPIPIWODY-UHFFFAOYSA-N
MW392.72 g/mol
LogP8.48
Rot. Bonds20

About 1,2-dipentyl-3-tridecyl-2H-imidazole

1,2-dipentyl-3-tridecyl-2H-imidazole (PubChem CID 69392836) has the molecular formula C26H52N2 and a molecular weight of 392.72 g/mol. Its IUPAC name is 1,2-dipentyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name1,2-dipentyl-3-tridecyl-2H-imidazole
PubChem CID69392836
Molecular FormulaC26H52N2
Molecular Weight392.72 g/mol
Exact Mass392.41
IUPAC Name1,2-dipentyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(CCCCC)C1CCCCC
InChIInChI=1S/C26H52N2/c1-4-7-10-11-12-13-14-15-16-17-20-23-28-25-24-27(22-19-9-6-3)26(28)21-18-8-5-2/h24-26H,4-23H2,1-3H3
InChIKeyZZYHWGPIPIWODY-UHFFFAOYSA-N
XLogP8.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.72
LogP ≤ 58.48
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dipentyl-3-tridecyl-2H-imidazole?
The IUPAC name of 1,2-dipentyl-3-tridecyl-2H-imidazole (CID 69392836) is 1,2-dipentyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 1,2-dipentyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 1,2-dipentyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCN1C=CN(CCCCC)C1CCCCC.
What is the InChIKey of 1,2-dipentyl-3-tridecyl-2H-imidazole?
The InChIKey is ZZYHWGPIPIWODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2/c1-4-7-10-11-12-13-14-15-16-17-20-23-28-25-24-27(22-19-9-6-3)26(28)21-18-8-5-2/h24-26H,4-23H2,1-3H3.
What are the key properties of 1,2-dipentyl-3-tridecyl-2H-imidazole?
1,2-dipentyl-3-tridecyl-2H-imidazole has a molecular weight of 392.72 g/mol, XLogP of 8.48, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipentyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69392836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).