5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole

C24H44N2 — CID 20532434

IUPAC5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole
SMILESCCCCCCCCCCCCn1c(C)nc(CC)c1C1CCCCC1
InChIInChI=1S/C24H44N2/c1-4-6-7-8-9-10-11-12-13-17-20-26-21(3)25-23(5-2)24(26)22-18-15-14-16-19-22/h22H,4-20H2,1-3H3
InChIKeyXLBCJXNJIJFZCJ-UHFFFAOYSA-N
MW360.63 g/mol
LogP7.72
Rot. Bonds13

About 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole

5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole (PubChem CID 20532434) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole.

Molecular Properties

Compound Name5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole
PubChem CID20532434
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole
SMILESCCCCCCCCCCCCn1c(C)nc(CC)c1C1CCCCC1
InChIInChI=1S/C24H44N2/c1-4-6-7-8-9-10-11-12-13-17-20-26-21(3)25-23(5-2)24(26)22-18-15-14-16-19-22/h22H,4-20H2,1-3H3
InChIKeyXLBCJXNJIJFZCJ-UHFFFAOYSA-N
XLogP7.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 57.72
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-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole?
The IUPAC name of 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole (CID 20532434) is 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole.
What is the SMILES notation for 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole?
The canonical SMILES for 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole is CCCCCCCCCCCCn1c(C)nc(CC)c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole?
The InChIKey is XLBCJXNJIJFZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2/c1-4-6-7-8-9-10-11-12-13-17-20-26-21(3)25-23(5-2)24(26)22-18-15-14-16-19-22/h22H,4-20H2,1-3H3.
What are the key properties of 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole?
5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole has a molecular weight of 360.63 g/mol, XLogP of 7.72, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-dodecyl-4-ethyl-2-methylimidazole is sourced from PubChem (CID 20532434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).