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

C17H22N2O — CID 106657629

IUPAC2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol
SMILESOC(Cn1cnc2ccccc21)/C1=C/CCCCCC1
InChIInChI=1S/C17H22N2O/c20-17(14-8-4-2-1-3-5-9-14)12-19-13-18-15-10-6-7-11-16(15)19/h6-8,10-11,13,17,20H,1-5,9,12H2/b14-8+
InChIKeyGUNJWGSJYOJWJJ-RIYZIHGNSA-N
MW270.38 g/mol
LogP3.68
Rot. Bonds3

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

2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol (PubChem CID 106657629) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol
PubChem CID106657629
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol
SMILESOC(Cn1cnc2ccccc21)/C1=C/CCCCCC1
InChIInChI=1S/C17H22N2O/c20-17(14-8-4-2-1-3-5-9-14)12-19-13-18-15-10-6-7-11-16(15)19/h6-8,10-11,13,17,20H,1-5,9,12H2/b14-8+
InChIKeyGUNJWGSJYOJWJJ-RIYZIHGNSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol (CID 106657629) is 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol is OC(Cn1cnc2ccccc21)/C1=C/CCCCCC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol?
The InChIKey is GUNJWGSJYOJWJJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(14-8-4-2-1-3-5-9-14)12-19-13-18-15-10-6-7-11-16(15)19/h6-8,10-11,13,17,20H,1-5,9,12H2/b14-8+.
What are the key properties of 2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol?
2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanol has a molecular weight of 270.38 g/mol, XLogP of 3.68, 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]ethanol is sourced from PubChem (CID 106657629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).