1-(cyclohexylmethyl)-2-octylimidazole

C18H32N2 — CID 70489285

IUPAC1-(cyclohexylmethyl)-2-octylimidazole
SMILESCCCCCCCCc1nccn1CC1CCCCC1
InChIInChI=1S/C18H32N2/c1-2-3-4-5-6-10-13-18-19-14-15-20(18)16-17-11-8-7-9-12-17/h14-15,17H,2-13,16H2,1H3
InChIKeyYJYHOAVTSQGFKL-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.37
Rot. Bonds9

About 1-(cyclohexylmethyl)-2-octylimidazole

1-(cyclohexylmethyl)-2-octylimidazole (PubChem CID 70489285) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-octylimidazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-octylimidazole
PubChem CID70489285
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(cyclohexylmethyl)-2-octylimidazole
SMILESCCCCCCCCc1nccn1CC1CCCCC1
InChIInChI=1S/C18H32N2/c1-2-3-4-5-6-10-13-18-19-14-15-20(18)16-17-11-8-7-9-12-17/h14-15,17H,2-13,16H2,1H3
InChIKeyYJYHOAVTSQGFKL-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.37
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-(cyclohexylmethyl)-2-octylimidazole?
The IUPAC name of 1-(cyclohexylmethyl)-2-octylimidazole (CID 70489285) is 1-(cyclohexylmethyl)-2-octylimidazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-octylimidazole?
The canonical SMILES for 1-(cyclohexylmethyl)-2-octylimidazole is CCCCCCCCc1nccn1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-octylimidazole?
The InChIKey is YJYHOAVTSQGFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-3-4-5-6-10-13-18-19-14-15-20(18)16-17-11-8-7-9-12-17/h14-15,17H,2-13,16H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-2-octylimidazole?
1-(cyclohexylmethyl)-2-octylimidazole has a molecular weight of 276.47 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-octylimidazole is sourced from PubChem (CID 70489285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).