2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol

C20H37N3O — CID 71348795

IUPAC2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol
SMILESCCCCCCCCCCCCCCn1ccnc1/C=N/CCO
InChIInChI=1S/C20H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-17-14-22-20(23)19-21-15-18-24/h14,17,19,24H,2-13,15-16,18H2,1H3/b21-19+
InChIKeyPLPMDJRGONAOKH-XUTLUUPISA-N
MW335.54 g/mol
LogP5.00
Rot. Bonds16

About 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol

2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol (PubChem CID 71348795) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol.

Molecular Properties

Compound Name2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol
PubChem CID71348795
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol
SMILESCCCCCCCCCCCCCCn1ccnc1/C=N/CCO
InChIInChI=1S/C20H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-17-14-22-20(23)19-21-15-18-24/h14,17,19,24H,2-13,15-16,18H2,1H3/b21-19+
InChIKeyPLPMDJRGONAOKH-XUTLUUPISA-N
XLogP5.00
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol?
The IUPAC name of 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol (CID 71348795) is 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol.
What is the SMILES notation for 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol?
The canonical SMILES for 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol is CCCCCCCCCCCCCCn1ccnc1/C=N/CCO.
What is the InChIKey of 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol?
The InChIKey is PLPMDJRGONAOKH-XUTLUUPISA-N. The full InChI is InChI=1S/C20H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-17-14-22-20(23)19-21-15-18-24/h14,17,19,24H,2-13,15-16,18H2,1H3/b21-19+.
What are the key properties of 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol?
2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol has a molecular weight of 335.54 g/mol, XLogP of 5.00, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol is sourced from PubChem (CID 71348795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).