1,4-didecyl-2-methylimidazole;hydrobromide

C24H47BrN2 — CID 173322060

IUPAC1,4-didecyl-2-methylimidazole;hydrobromide
SMILESBr.CCCCCCCCCCc1cn(CCCCCCCCCC)c(C)n1
InChIInChI=1S/C24H46N2.BrH/c1-4-6-8-10-12-14-16-18-20-24-22-26(23(3)25-24)21-19-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3;1H
InChIKeyBHBPQDKRZTYFLV-UHFFFAOYSA-N
MW443.56 g/mol
LogP8.59
Rot. Bonds18

About 1,4-didecyl-2-methylimidazole;hydrobromide

1,4-didecyl-2-methylimidazole;hydrobromide (PubChem CID 173322060) has the molecular formula C24H47BrN2 and a molecular weight of 443.56 g/mol. Its IUPAC name is 1,4-didecyl-2-methylimidazole;hydrobromide.

Molecular Properties

Compound Name1,4-didecyl-2-methylimidazole;hydrobromide
PubChem CID173322060
Molecular FormulaC24H47BrN2
Molecular Weight443.56 g/mol
Exact Mass442.29
IUPAC Name1,4-didecyl-2-methylimidazole;hydrobromide
SMILESBr.CCCCCCCCCCc1cn(CCCCCCCCCC)c(C)n1
InChIInChI=1S/C24H46N2.BrH/c1-4-6-8-10-12-14-16-18-20-24-22-26(23(3)25-24)21-19-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3;1H
InChIKeyBHBPQDKRZTYFLV-UHFFFAOYSA-N
XLogP8.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.56
LogP ≤ 58.59
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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Frequently Asked Questions

What is the IUPAC name of 1,4-didecyl-2-methylimidazole;hydrobromide?
The IUPAC name of 1,4-didecyl-2-methylimidazole;hydrobromide (CID 173322060) is 1,4-didecyl-2-methylimidazole;hydrobromide.
What is the SMILES notation for 1,4-didecyl-2-methylimidazole;hydrobromide?
The canonical SMILES for 1,4-didecyl-2-methylimidazole;hydrobromide is Br.CCCCCCCCCCc1cn(CCCCCCCCCC)c(C)n1.
What is the InChIKey of 1,4-didecyl-2-methylimidazole;hydrobromide?
The InChIKey is BHBPQDKRZTYFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2.BrH/c1-4-6-8-10-12-14-16-18-20-24-22-26(23(3)25-24)21-19-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3;1H.
What are the key properties of 1,4-didecyl-2-methylimidazole;hydrobromide?
1,4-didecyl-2-methylimidazole;hydrobromide has a molecular weight of 443.56 g/mol, XLogP of 8.59, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-didecyl-2-methylimidazole;hydrobromide is sourced from PubChem (CID 173322060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).