1-hexyl-2-methyl-3-tetradecyl-2H-imidazole

C24H48N2 — CID 69392459

IUPAC1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(CCCCCC)C1C
InChIInChI=1S/C24H48N2/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-26-23-22-25(24(26)3)20-18-9-7-5-2/h22-24H,4-21H2,1-3H3
InChIKeyWSOXQWSCHJHMSM-UHFFFAOYSA-N
MW364.66 g/mol
LogP7.70
Rot. Bonds18

About 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole

1-hexyl-2-methyl-3-tetradecyl-2H-imidazole (PubChem CID 69392459) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole.

Molecular Properties

Compound Name1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
PubChem CID69392459
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(CCCCCC)C1C
InChIInChI=1S/C24H48N2/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-26-23-22-25(24(26)3)20-18-9-7-5-2/h22-24H,4-21H2,1-3H3
InChIKeyWSOXQWSCHJHMSM-UHFFFAOYSA-N
XLogP7.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 57.70
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-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396
1-butyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69390686
1-ethyl-3-heptadecyl-2-methyl-2H-imidazole
CID 69396423
1-decyl-3-ethyl-2-methyl-2H-imidazole
CID 69393103
1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole?
The IUPAC name of 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole (CID 69392459) is 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole.
What is the SMILES notation for 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole?
The canonical SMILES for 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole is CCCCCCCCCCCCCCN1C=CN(CCCCCC)C1C.
What is the InChIKey of 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole?
The InChIKey is WSOXQWSCHJHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-26-23-22-25(24(26)3)20-18-9-7-5-2/h22-24H,4-21H2,1-3H3.
What are the key properties of 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole?
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole has a molecular weight of 364.66 g/mol, XLogP of 7.70, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methyl-3-tetradecyl-2H-imidazole is sourced from PubChem (CID 69392459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).