1-benzyl-2-octylimidazole

C18H26N2 — CID 70491727

IUPAC1-benzyl-2-octylimidazole
SMILESCCCCCCCCc1nccn1Cc1ccccc1
InChIInChI=1S/C18H26N2/c1-2-3-4-5-6-10-13-18-19-14-15-20(18)16-17-11-8-7-9-12-17/h7-9,11-12,14-15H,2-6,10,13,16H2,1H3
InChIKeyOPDOHQFOTWSSPQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.83
Rot. Bonds9

About 1-benzyl-2-octylimidazole

1-benzyl-2-octylimidazole (PubChem CID 70491727) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-benzyl-2-octylimidazole.

Molecular Properties

Compound Name1-benzyl-2-octylimidazole
PubChem CID70491727
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-benzyl-2-octylimidazole
SMILESCCCCCCCCc1nccn1Cc1ccccc1
InChIInChI=1S/C18H26N2/c1-2-3-4-5-6-10-13-18-19-14-15-20(18)16-17-11-8-7-9-12-17/h7-9,11-12,14-15H,2-6,10,13,16H2,1H3
InChIKeyOPDOHQFOTWSSPQ-UHFFFAOYSA-N
XLogP4.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.83
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-[2-(1-benzylimidazol-2-yl)ethyl]-2-octylguanidine
CID 111042104
1,2-di(pentadecyl)imidazole
CID 69388452
(2-hexylimidazol-1-yl)methanamine
CID 141279127
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
2-octyl-1-phenylimidazole
CID 70493166
1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole
CID 86931195
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062
1-benzyl-2-heptylpyrrole
CID 102411152
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111228267
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine
CID 111195492

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-octylimidazole?
The IUPAC name of 1-benzyl-2-octylimidazole (CID 70491727) is 1-benzyl-2-octylimidazole.
What is the SMILES notation for 1-benzyl-2-octylimidazole?
The canonical SMILES for 1-benzyl-2-octylimidazole is CCCCCCCCc1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-octylimidazole?
The InChIKey is OPDOHQFOTWSSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-3-4-5-6-10-13-18-19-14-15-20(18)16-17-11-8-7-9-12-17/h7-9,11-12,14-15H,2-6,10,13,16H2,1H3.
What are the key properties of 1-benzyl-2-octylimidazole?
1-benzyl-2-octylimidazole has a molecular weight of 270.42 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-octylimidazole is sourced from PubChem (CID 70491727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).