1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole

C18H24N2O — CID 6436121

IUPAC1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole
SMILESCCCCCC(/C=C/n1ccnc1)OCc1ccccc1
InChIInChI=1S/C18H24N2O/c1-2-3-5-10-18(11-13-20-14-12-19-16-20)21-15-17-8-6-4-7-9-17/h4,6-9,11-14,16,18H,2-3,5,10,15H2,1H3/b13-11+
InChIKeyYPIURPNVKACZQH-ACCUITESSA-N
MW284.40 g/mol
LogP4.52
Rot. Bonds9

About 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole

1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole (PubChem CID 6436121) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole
PubChem CID6436121
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole
SMILESCCCCCC(/C=C/n1ccnc1)OCc1ccccc1
InChIInChI=1S/C18H24N2O/c1-2-3-5-10-18(11-13-20-14-12-19-16-20)21-15-17-8-6-4-7-9-17/h4,6-9,11-14,16,18H,2-3,5,10,15H2,1H3/b13-11+
InChIKeyYPIURPNVKACZQH-ACCUITESSA-N
XLogP4.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.52
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-[(E)-3-phenylmethoxyoct-1-enyl]imidazole?
The IUPAC name of 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole (CID 6436121) is 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole.
What is the SMILES notation for 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole?
The canonical SMILES for 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole is CCCCCC(/C=C/n1ccnc1)OCc1ccccc1.
What is the InChIKey of 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole?
The InChIKey is YPIURPNVKACZQH-ACCUITESSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-3-5-10-18(11-13-20-14-12-19-16-20)21-15-17-8-6-4-7-9-17/h4,6-9,11-14,16,18H,2-3,5,10,15H2,1H3/b13-11+.
What are the key properties of 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole?
1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole has a molecular weight of 284.40 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole is sourced from PubChem (CID 6436121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).