(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine

C11H11N3O — CID 58835268

IUPAC(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine
SMILESCO/N=C/c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H11N3O/c1-15-13-8-10-2-4-11(5-3-10)14-7-6-12-9-14/h2-9H,1H3/b13-8+
InChIKeyCQCFQZQAOFMKHR-MDWZMJQESA-N
MW201.23 g/mol
LogP1.85
Rot. Bonds3

About (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine

(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine (PubChem CID 58835268) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine
PubChem CID58835268
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine
SMILESCO/N=C/c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H11N3O/c1-15-13-8-10-2-4-11(5-3-10)14-7-6-12-9-14/h2-9H,1H3/b13-8+
InChIKeyCQCFQZQAOFMKHR-MDWZMJQESA-N
XLogP1.85
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-imidazol-1-ylphenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine (CID 58835268) is (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine is CO/N=C/c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine?
The InChIKey is CQCFQZQAOFMKHR-MDWZMJQESA-N. The full InChI is InChI=1S/C11H11N3O/c1-15-13-8-10-2-4-11(5-3-10)14-7-6-12-9-14/h2-9H,1H3/b13-8+.
What are the key properties of (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine?
(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine has a molecular weight of 201.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine is sourced from PubChem (CID 58835268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).