1-(6-bromohexyl)-3-tetradecyl-2H-imidazole

C23H45BrN2 — CID 141476954

IUPAC1-(6-bromohexyl)-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(CCCCCCBr)C1
InChIInChI=1S/C23H45BrN2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-25-21-22-26(23-25)20-17-14-12-15-18-24/h21-22H,2-20,23H2,1H3
InChIKeyDXDONGQZELBKRJ-UHFFFAOYSA-N
MW429.53 g/mol
LogP7.69
Rot. Bonds19

About 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole

1-(6-bromohexyl)-3-tetradecyl-2H-imidazole (PubChem CID 141476954) has the molecular formula C23H45BrN2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole.

Molecular Properties

Compound Name1-(6-bromohexyl)-3-tetradecyl-2H-imidazole
PubChem CID141476954
Molecular FormulaC23H45BrN2
Molecular Weight429.53 g/mol
Exact Mass428.28
IUPAC Name1-(6-bromohexyl)-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(CCCCCCBr)C1
InChIInChI=1S/C23H45BrN2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-25-21-22-26(23-25)20-17-14-12-15-18-24/h21-22H,2-20,23H2,1H3
InChIKeyDXDONGQZELBKRJ-UHFFFAOYSA-N
XLogP7.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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
1,3-di(nonyl)-2H-imidazole
CID 69395396
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole?
The IUPAC name of 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole (CID 141476954) is 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole.
What is the SMILES notation for 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole?
The canonical SMILES for 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole is CCCCCCCCCCCCCCN1C=CN(CCCCCCBr)C1.
What is the InChIKey of 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole?
The InChIKey is DXDONGQZELBKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45BrN2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-25-21-22-26(23-25)20-17-14-12-15-18-24/h21-22H,2-20,23H2,1H3.
What are the key properties of 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole?
1-(6-bromohexyl)-3-tetradecyl-2H-imidazole has a molecular weight of 429.53 g/mol, XLogP of 7.69, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromohexyl)-3-tetradecyl-2H-imidazole is sourced from PubChem (CID 141476954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).