1,2,2,3,4,5-hexapentylimidazole

C33H66N2 — CID 174649737

IUPAC1,2,2,3,4,5-hexapentylimidazole
SMILESCCCCCC1=C(CCCCC)N(CCCCC)C(CCCCC)(CCCCC)N1CCCCC
InChIInChI=1S/C33H66N2/c1-7-13-19-25-31-32(26-20-14-8-2)35(30-24-18-12-6)33(27-21-15-9-3,28-22-16-10-4)34(31)29-23-17-11-5/h7-30H2,1-6H3
InChIKeyGMKINIGKJMNBGH-UHFFFAOYSA-N
MW490.91 g/mol
LogP11.21
Rot. Bonds24

About 1,2,2,3,4,5-hexapentylimidazole

1,2,2,3,4,5-hexapentylimidazole (PubChem CID 174649737) has the molecular formula C33H66N2 and a molecular weight of 490.91 g/mol. Its IUPAC name is 1,2,2,3,4,5-hexapentylimidazole.

Molecular Properties

Compound Name1,2,2,3,4,5-hexapentylimidazole
PubChem CID174649737
Molecular FormulaC33H66N2
Molecular Weight490.91 g/mol
Exact Mass490.52
IUPAC Name1,2,2,3,4,5-hexapentylimidazole
SMILESCCCCCC1=C(CCCCC)N(CCCCC)C(CCCCC)(CCCCC)N1CCCCC
InChIInChI=1S/C33H66N2/c1-7-13-19-25-31-32(26-20-14-8-2)35(30-24-18-12-6)33(27-21-15-9-3,28-22-16-10-4)34(31)29-23-17-11-5/h7-30H2,1-6H3
InChIKeyGMKINIGKJMNBGH-UHFFFAOYSA-N
XLogP11.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 511.21
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 1,2,2,3,4,5-hexapentylimidazole?
The IUPAC name of 1,2,2,3,4,5-hexapentylimidazole (CID 174649737) is 1,2,2,3,4,5-hexapentylimidazole.
What is the SMILES notation for 1,2,2,3,4,5-hexapentylimidazole?
The canonical SMILES for 1,2,2,3,4,5-hexapentylimidazole is CCCCCC1=C(CCCCC)N(CCCCC)C(CCCCC)(CCCCC)N1CCCCC.
What is the InChIKey of 1,2,2,3,4,5-hexapentylimidazole?
The InChIKey is GMKINIGKJMNBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66N2/c1-7-13-19-25-31-32(26-20-14-8-2)35(30-24-18-12-6)33(27-21-15-9-3,28-22-16-10-4)34(31)29-23-17-11-5/h7-30H2,1-6H3.
What are the key properties of 1,2,2,3,4,5-hexapentylimidazole?
1,2,2,3,4,5-hexapentylimidazole has a molecular weight of 490.91 g/mol, XLogP of 11.21, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4,5-hexapentylimidazole is sourced from PubChem (CID 174649737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).