1-cyclohexyl-3-octyl-2H-imidazole

C17H32N2 — CID 21260219

IUPAC1-cyclohexyl-3-octyl-2H-imidazole
SMILESCCCCCCCCN1C=CN(C2CCCCC2)C1
InChIInChI=1S/C17H32N2/c1-2-3-4-5-6-10-13-18-14-15-19(16-18)17-11-8-7-9-12-17/h14-15,17H,2-13,16H2,1H3
InChIKeyOBMOKSDARMHTCK-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.73
Rot. Bonds8

About 1-cyclohexyl-3-octyl-2H-imidazole

1-cyclohexyl-3-octyl-2H-imidazole (PubChem CID 21260219) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-octyl-2H-imidazole.

Molecular Properties

Compound Name1-cyclohexyl-3-octyl-2H-imidazole
PubChem CID21260219
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-cyclohexyl-3-octyl-2H-imidazole
SMILESCCCCCCCCN1C=CN(C2CCCCC2)C1
InChIInChI=1S/C17H32N2/c1-2-3-4-5-6-10-13-18-14-15-19(16-18)17-11-8-7-9-12-17/h14-15,17H,2-13,16H2,1H3
InChIKeyOBMOKSDARMHTCK-UHFFFAOYSA-N
XLogP4.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.73
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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Related Compounds

1-cyclopentyl-3-propyl-2H-imidazole
CID 174543956
acetic acid;1-cyclopentyl-3-propyl-2H-imidazole
CID 174543955
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-octyl-3-undecyl-2H-imidazole
CID 69389433
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-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-hexyl-3-methyl-2H-imidazole
CID 18513318

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-octyl-2H-imidazole?
The IUPAC name of 1-cyclohexyl-3-octyl-2H-imidazole (CID 21260219) is 1-cyclohexyl-3-octyl-2H-imidazole.
What is the SMILES notation for 1-cyclohexyl-3-octyl-2H-imidazole?
The canonical SMILES for 1-cyclohexyl-3-octyl-2H-imidazole is CCCCCCCCN1C=CN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-octyl-2H-imidazole?
The InChIKey is OBMOKSDARMHTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-3-4-5-6-10-13-18-14-15-19(16-18)17-11-8-7-9-12-17/h14-15,17H,2-13,16H2,1H3.
What are the key properties of 1-cyclohexyl-3-octyl-2H-imidazole?
1-cyclohexyl-3-octyl-2H-imidazole has a molecular weight of 264.46 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-octyl-2H-imidazole is sourced from PubChem (CID 21260219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).