5-butyl-1-hexadecyl-2-methylimidazole

C24H46N2 — CID 158644637

IUPAC5-butyl-1-hexadecyl-2-methylimidazole
SMILESCCCCCCCCCCCCCCCCn1c(CCCC)cnc1C
InChIInChI=1S/C24H46N2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23(3)25-22-24(26)20-7-5-2/h22H,4-21H2,1-3H3
InChIKeyIAUUKTXKKLMYJD-UHFFFAOYSA-N
MW362.65 g/mol
LogP8.02
Rot. Bonds18

About 5-butyl-1-hexadecyl-2-methylimidazole

5-butyl-1-hexadecyl-2-methylimidazole (PubChem CID 158644637) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 5-butyl-1-hexadecyl-2-methylimidazole.

Molecular Properties

Compound Name5-butyl-1-hexadecyl-2-methylimidazole
PubChem CID158644637
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name5-butyl-1-hexadecyl-2-methylimidazole
SMILESCCCCCCCCCCCCCCCCn1c(CCCC)cnc1C
InChIInChI=1S/C24H46N2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23(3)25-22-24(26)20-7-5-2/h22H,4-21H2,1-3H3
InChIKeyIAUUKTXKKLMYJD-UHFFFAOYSA-N
XLogP8.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 58.02
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 5-butyl-1-hexadecyl-2-methylimidazole?
The IUPAC name of 5-butyl-1-hexadecyl-2-methylimidazole (CID 158644637) is 5-butyl-1-hexadecyl-2-methylimidazole.
What is the SMILES notation for 5-butyl-1-hexadecyl-2-methylimidazole?
The canonical SMILES for 5-butyl-1-hexadecyl-2-methylimidazole is CCCCCCCCCCCCCCCCn1c(CCCC)cnc1C.
What is the InChIKey of 5-butyl-1-hexadecyl-2-methylimidazole?
The InChIKey is IAUUKTXKKLMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23(3)25-22-24(26)20-7-5-2/h22H,4-21H2,1-3H3.
What are the key properties of 5-butyl-1-hexadecyl-2-methylimidazole?
5-butyl-1-hexadecyl-2-methylimidazole has a molecular weight of 362.65 g/mol, XLogP of 8.02, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-hexadecyl-2-methylimidazole is sourced from PubChem (CID 158644637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).