1-(4-cyclohexyl-2-hexoxybutyl)imidazole

C19H34N2O — CID 21397942

IUPAC1-(4-cyclohexyl-2-hexoxybutyl)imidazole
SMILESCCCCCCOC(CCC1CCCCC1)Cn1ccnc1
InChIInChI=1S/C19H34N2O/c1-2-3-4-8-15-22-19(16-21-14-13-20-17-21)12-11-18-9-6-5-7-10-18/h13-14,17-19H,2-12,15-16H2,1H3
InChIKeyOWHJOJUYXNNSES-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.21
Rot. Bonds11

About 1-(4-cyclohexyl-2-hexoxybutyl)imidazole

1-(4-cyclohexyl-2-hexoxybutyl)imidazole (PubChem CID 21397942) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(4-cyclohexyl-2-hexoxybutyl)imidazole.

Molecular Properties

Compound Name1-(4-cyclohexyl-2-hexoxybutyl)imidazole
PubChem CID21397942
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-(4-cyclohexyl-2-hexoxybutyl)imidazole
SMILESCCCCCCOC(CCC1CCCCC1)Cn1ccnc1
InChIInChI=1S/C19H34N2O/c1-2-3-4-8-15-22-19(16-21-14-13-20-17-21)12-11-18-9-6-5-7-10-18/h13-14,17-19H,2-12,15-16H2,1H3
InChIKeyOWHJOJUYXNNSES-UHFFFAOYSA-N
XLogP5.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexyl-2-hexoxybutyl)imidazole?
The IUPAC name of 1-(4-cyclohexyl-2-hexoxybutyl)imidazole (CID 21397942) is 1-(4-cyclohexyl-2-hexoxybutyl)imidazole.
What is the SMILES notation for 1-(4-cyclohexyl-2-hexoxybutyl)imidazole?
The canonical SMILES for 1-(4-cyclohexyl-2-hexoxybutyl)imidazole is CCCCCCOC(CCC1CCCCC1)Cn1ccnc1.
What is the InChIKey of 1-(4-cyclohexyl-2-hexoxybutyl)imidazole?
The InChIKey is OWHJOJUYXNNSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-2-3-4-8-15-22-19(16-21-14-13-20-17-21)12-11-18-9-6-5-7-10-18/h13-14,17-19H,2-12,15-16H2,1H3.
What are the key properties of 1-(4-cyclohexyl-2-hexoxybutyl)imidazole?
1-(4-cyclohexyl-2-hexoxybutyl)imidazole has a molecular weight of 306.49 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-2-hexoxybutyl)imidazole is sourced from PubChem (CID 21397942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).