1,3-di(nonyl)-2H-imidazole

C21H42N2 — CID 69395396

IUPAC1,3-di(nonyl)-2H-imidazole
SMILESCCCCCCCCCN1C=CN(CCCCCCCCC)C1
InChIInChI=1S/C21H42N2/c1-3-5-7-9-11-13-15-17-22-19-20-23(21-22)18-16-14-12-10-8-6-4-2/h19-20H,3-18,21H2,1-2H3
InChIKeyCHOBIBKPGYJGBJ-UHFFFAOYSA-N
MW322.58 g/mol
LogP6.53
Rot. Bonds16

About 1,3-di(nonyl)-2H-imidazole

1,3-di(nonyl)-2H-imidazole (PubChem CID 69395396) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1,3-di(nonyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-di(nonyl)-2H-imidazole
PubChem CID69395396
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1,3-di(nonyl)-2H-imidazole
SMILESCCCCCCCCCN1C=CN(CCCCCCCCC)C1
InChIInChI=1S/C21H42N2/c1-3-5-7-9-11-13-15-17-22-19-20-23(21-22)18-16-14-12-10-8-6-4-2/h19-20H,3-18,21H2,1-2H3
InChIKeyCHOBIBKPGYJGBJ-UHFFFAOYSA-N
XLogP6.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.53
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

1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-decyl-3-ethyl-2H-imidazole
CID 19864130
1-hexyl-3-propyl-2H-imidazole;hydroiodide
CID 173007691
1-ethyl-3-hexyl-2H-imidazole;hydrobromide
CID 173078365
1-ethyl-3-octyl-2H-imidazole;hydroiodide
CID 173446352

Frequently Asked Questions

What is the IUPAC name of 1,3-di(nonyl)-2H-imidazole?
The IUPAC name of 1,3-di(nonyl)-2H-imidazole (CID 69395396) is 1,3-di(nonyl)-2H-imidazole.
What is the SMILES notation for 1,3-di(nonyl)-2H-imidazole?
The canonical SMILES for 1,3-di(nonyl)-2H-imidazole is CCCCCCCCCN1C=CN(CCCCCCCCC)C1.
What is the InChIKey of 1,3-di(nonyl)-2H-imidazole?
The InChIKey is CHOBIBKPGYJGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-3-5-7-9-11-13-15-17-22-19-20-23(21-22)18-16-14-12-10-8-6-4-2/h19-20H,3-18,21H2,1-2H3.
What are the key properties of 1,3-di(nonyl)-2H-imidazole?
1,3-di(nonyl)-2H-imidazole has a molecular weight of 322.58 g/mol, XLogP of 6.53, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(nonyl)-2H-imidazole is sourced from PubChem (CID 69395396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).