(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine

C14H19N3O2 — CID 24906196

IUPAC(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccccc1OC(C)C1=NCCN1
InChIInChI=1S/C14H19N3O2/c1-3-18-17-10-12-6-4-5-7-13(12)19-11(2)14-15-8-9-16-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/b17-10+
InChIKeyBVWLLEDYRCHASI-LICLKQGHSA-N
MW261.32 g/mol
LogP1.83
Rot. Bonds6

About (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine

(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine (PubChem CID 24906196) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine
PubChem CID24906196
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccccc1OC(C)C1=NCCN1
InChIInChI=1S/C14H19N3O2/c1-3-18-17-10-12-6-4-5-7-13(12)19-11(2)14-15-8-9-16-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/b17-10+
InChIKeyBVWLLEDYRCHASI-LICLKQGHSA-N
XLogP1.83
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine?
The IUPAC name of (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine (CID 24906196) is (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine.
What is the SMILES notation for (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine?
The canonical SMILES for (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine is CCO/N=C/c1ccccc1OC(C)C1=NCCN1.
What is the InChIKey of (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine?
The InChIKey is BVWLLEDYRCHASI-LICLKQGHSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-18-17-10-12-6-4-5-7-13(12)19-11(2)14-15-8-9-16-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/b17-10+.
What are the key properties of (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine?
(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine has a molecular weight of 261.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine is sourced from PubChem (CID 24906196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).