1-(3-cyclohexyl-3-nonoxypropyl)imidazole

C21H38N2O — CID 21397992

IUPAC1-(3-cyclohexyl-3-nonoxypropyl)imidazole
SMILESCCCCCCCCCOC(CCn1ccnc1)C1CCCCC1
InChIInChI=1S/C21H38N2O/c1-2-3-4-5-6-7-11-18-24-21(20-12-9-8-10-13-20)14-16-23-17-15-22-19-23/h15,17,19-21H,2-14,16,18H2,1H3
InChIKeyXOLXSROREQLWSH-UHFFFAOYSA-N
MW334.55 g/mol
LogP5.99
Rot. Bonds13

About 1-(3-cyclohexyl-3-nonoxypropyl)imidazole

1-(3-cyclohexyl-3-nonoxypropyl)imidazole (PubChem CID 21397992) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-(3-cyclohexyl-3-nonoxypropyl)imidazole.

Molecular Properties

Compound Name1-(3-cyclohexyl-3-nonoxypropyl)imidazole
PubChem CID21397992
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC Name1-(3-cyclohexyl-3-nonoxypropyl)imidazole
SMILESCCCCCCCCCOC(CCn1ccnc1)C1CCCCC1
InChIInChI=1S/C21H38N2O/c1-2-3-4-5-6-7-11-18-24-21(20-12-9-8-10-13-20)14-16-23-17-15-22-19-23/h15,17,19-21H,2-14,16,18H2,1H3
InChIKeyXOLXSROREQLWSH-UHFFFAOYSA-N
XLogP5.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-cyclohexyl-3-nonoxypropyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-3-nonoxypropyl)imidazole?
The IUPAC name of 1-(3-cyclohexyl-3-nonoxypropyl)imidazole (CID 21397992) is 1-(3-cyclohexyl-3-nonoxypropyl)imidazole.
What is the SMILES notation for 1-(3-cyclohexyl-3-nonoxypropyl)imidazole?
The canonical SMILES for 1-(3-cyclohexyl-3-nonoxypropyl)imidazole is CCCCCCCCCOC(CCn1ccnc1)C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexyl-3-nonoxypropyl)imidazole?
The InChIKey is XOLXSROREQLWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-2-3-4-5-6-7-11-18-24-21(20-12-9-8-10-13-20)14-16-23-17-15-22-19-23/h15,17,19-21H,2-14,16,18H2,1H3.
What are the key properties of 1-(3-cyclohexyl-3-nonoxypropyl)imidazole?
1-(3-cyclohexyl-3-nonoxypropyl)imidazole has a molecular weight of 334.55 g/mol, XLogP of 5.99, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-3-nonoxypropyl)imidazole is sourced from PubChem (CID 21397992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).