2-hexyl-1-nonadecyl-3-propyl-2H-imidazole

C31H62N2 — CID 69390950

IUPAC2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1CCCCCC
InChIInChI=1S/C31H62N2/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-33-30-29-32(27-6-3)31(33)26-24-10-8-5-2/h29-31H,4-28H2,1-3H3
InChIKeyAXKUMYRPSTYAFM-UHFFFAOYSA-N
MW462.85 g/mol
LogP10.43
Rot. Bonds25

About 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole

2-hexyl-1-nonadecyl-3-propyl-2H-imidazole (PubChem CID 69390950) has the molecular formula C31H62N2 and a molecular weight of 462.85 g/mol. Its IUPAC name is 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
PubChem CID69390950
Molecular FormulaC31H62N2
Molecular Weight462.85 g/mol
Exact Mass462.49
IUPAC Name2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1CCCCCC
InChIInChI=1S/C31H62N2/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-33-30-29-32(27-6-3)31(33)26-24-10-8-5-2/h29-31H,4-28H2,1-3H3
InChIKeyAXKUMYRPSTYAFM-UHFFFAOYSA-N
XLogP10.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
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

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
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-hexyl-1-nonadecyl-3-propyl-2H-imidazole?
The IUPAC name of 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole (CID 69390950) is 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole.
What is the SMILES notation for 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole?
The canonical SMILES for 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1CCCCCC.
What is the InChIKey of 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole?
The InChIKey is AXKUMYRPSTYAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-33-30-29-32(27-6-3)31(33)26-24-10-8-5-2/h29-31H,4-28H2,1-3H3.
What are the key properties of 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole?
2-hexyl-1-nonadecyl-3-propyl-2H-imidazole has a molecular weight of 462.85 g/mol, XLogP of 10.43, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-nonadecyl-3-propyl-2H-imidazole is sourced from PubChem (CID 69390950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).