2-(2-pentadecylimidazol-1-yl)ethanol

C20H38N2O — CID 170850320

IUPAC2-(2-pentadecylimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCc1nccn1CCO
InChIInChI=1S/C20H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23/h16-17,23H,2-15,18-19H2,1H3
InChIKeyXHNWZGOZEWLJTE-UHFFFAOYSA-N
MW322.54 g/mol
LogP5.51
Rot. Bonds16

About 2-(2-pentadecylimidazol-1-yl)ethanol

2-(2-pentadecylimidazol-1-yl)ethanol (PubChem CID 170850320) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-(2-pentadecylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-pentadecylimidazol-1-yl)ethanol
PubChem CID170850320
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name2-(2-pentadecylimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCc1nccn1CCO
InChIInChI=1S/C20H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23/h16-17,23H,2-15,18-19H2,1H3
InChIKeyXHNWZGOZEWLJTE-UHFFFAOYSA-N
XLogP5.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
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 2-(2-pentadecylimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-pentadecylimidazol-1-yl)ethanol (CID 170850320) is 2-(2-pentadecylimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-pentadecylimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-pentadecylimidazol-1-yl)ethanol is CCCCCCCCCCCCCCCc1nccn1CCO.
What is the InChIKey of 2-(2-pentadecylimidazol-1-yl)ethanol?
The InChIKey is XHNWZGOZEWLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23/h16-17,23H,2-15,18-19H2,1H3.
What are the key properties of 2-(2-pentadecylimidazol-1-yl)ethanol?
2-(2-pentadecylimidazol-1-yl)ethanol has a molecular weight of 322.54 g/mol, XLogP of 5.51, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentadecylimidazol-1-yl)ethanol is sourced from PubChem (CID 170850320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).