1-ethyl-3-hexadecyl-2H-imidazole

C21H42N2 — CID 21321800

IUPAC1-ethyl-3-hexadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(CC)C1
InChIInChI=1S/C21H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(4-2)21-23/h19-20H,3-18,21H2,1-2H3
InChIKeyOXERARVUVSUPTO-UHFFFAOYSA-N
MW322.58 g/mol
LogP6.53
Rot. Bonds16

About 1-ethyl-3-hexadecyl-2H-imidazole

1-ethyl-3-hexadecyl-2H-imidazole (PubChem CID 21321800) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-ethyl-3-hexadecyl-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-hexadecyl-2H-imidazole
PubChem CID21321800
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1-ethyl-3-hexadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(CC)C1
InChIInChI=1S/C21H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(4-2)21-23/h19-20H,3-18,21H2,1-2H3
InChIKeyOXERARVUVSUPTO-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-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Pentyl-3-methylimidazole
CID 19604648
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-methyl-3-octadecyl-2H-imidazole
CID 18183998
1-Decyl-3-methylimidazole
CID 18513308
1-Hexadecyl-3-methylimidazole
CID 18513310
1-Dodecyl-3-methylimidazole
CID 18513314
1-ethenyl-3-octadecyl-2H-imidazole
CID 18679097
1,2-Dimethyl-3 decylimidazole
CID 21567448

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hexadecyl-2H-imidazole?
The IUPAC name of 1-ethyl-3-hexadecyl-2H-imidazole (CID 21321800) is 1-ethyl-3-hexadecyl-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-hexadecyl-2H-imidazole?
The canonical SMILES for 1-ethyl-3-hexadecyl-2H-imidazole is CCCCCCCCCCCCCCCCN1C=CN(CC)C1.
What is the InChIKey of 1-ethyl-3-hexadecyl-2H-imidazole?
The InChIKey is OXERARVUVSUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(4-2)21-23/h19-20H,3-18,21H2,1-2H3.
What are the key properties of 1-ethyl-3-hexadecyl-2H-imidazole?
1-ethyl-3-hexadecyl-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-ethyl-3-hexadecyl-2H-imidazole is sourced from PubChem (CID 21321800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).