2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine

C17H23N3 — CID 106656768

IUPAC2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine
SMILESNC(Cn1cnc2ccccc21)/C1=C/CCCCCC1
InChIInChI=1S/C17H23N3/c18-15(14-8-4-2-1-3-5-9-14)12-20-13-19-16-10-6-7-11-17(16)20/h6-8,10-11,13,15H,1-5,9,12,18H2/b14-8+
InChIKeyCCUHIDNWDMYYSJ-RIYZIHGNSA-N
MW269.39 g/mol
LogP3.64
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine

2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine (PubChem CID 106656768) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine
PubChem CID106656768
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine
SMILESNC(Cn1cnc2ccccc21)/C1=C/CCCCCC1
InChIInChI=1S/C17H23N3/c18-15(14-8-4-2-1-3-5-9-14)12-20-13-19-16-10-6-7-11-17(16)20/h6-8,10-11,13,15H,1-5,9,12,18H2/b14-8+
InChIKeyCCUHIDNWDMYYSJ-RIYZIHGNSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol
CID 106657629
2-(benzimidazol-1-yl)-1-cyclohexylethanamine
CID 113448385
[2-(benzimidazol-1-yl)-1-cycloheptylethyl]hydrazine
CID 105330603
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220
1-(benzimidazol-1-yl)pent-4-en-2-amine
CID 105107781
2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 105169896
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
CID 105176644
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine (CID 106656768) is 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine is NC(Cn1cnc2ccccc21)/C1=C/CCCCCC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine?
The InChIKey is CCUHIDNWDMYYSJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H23N3/c18-15(14-8-4-2-1-3-5-9-14)12-20-13-19-16-10-6-7-11-17(16)20/h6-8,10-11,13,15H,1-5,9,12,18H2/b14-8+.
What are the key properties of 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine?
2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine is sourced from PubChem (CID 106656768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).