(E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C18H18N4O3 — CID 5344928

IUPAC(E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccccc1OCCOc1ccccc1/C=N/n1cnnc1
InChIInChI=1S/C18H18N4O3/c1-23-17-8-4-5-9-18(17)25-11-10-24-16-7-3-2-6-15(16)12-21-22-13-19-20-14-22/h2-9,12-14H,10-11H2,1H3/b21-12+
InChIKeyQZEGUIUJPDEICR-CIAFOILYSA-N
MW338.37 g/mol
LogP2.63
Rot. Bonds8

About (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5344928) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5344928
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccccc1OCCOc1ccccc1/C=N/n1cnnc1
InChIInChI=1S/C18H18N4O3/c1-23-17-8-4-5-9-18(17)25-11-10-24-16-7-3-2-6-15(16)12-21-22-13-19-20-14-22/h2-9,12-14H,10-11H2,1H3/b21-12+
InChIKeyQZEGUIUJPDEICR-CIAFOILYSA-N
XLogP2.63
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 5344928) is (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is COc1ccccc1OCCOc1ccccc1/C=N/n1cnnc1.
What is the InChIKey of (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is QZEGUIUJPDEICR-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-23-17-8-4-5-9-18(17)25-11-10-24-16-7-3-2-6-15(16)12-21-22-13-19-20-14-22/h2-9,12-14H,10-11H2,1H3/b21-12+.
What are the key properties of (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 338.37 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5344928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).