[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine

C26H20N2O — CID 102210990

IUPAC[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1ccc(Oc2ccc(/C(=N/[H])c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2O/c27-25(19-7-3-1-4-8-19)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)26(28)20-9-5-2-6-10-20/h1-18,27-28H/b27-25+,28-26+
InChIKeyFFARJWFJRNSBBM-NBHCHVEOSA-N
MW376.46 g/mol
LogP6.31
Rot. Bonds6

About [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine

[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine (PubChem CID 102210990) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine.

Molecular Properties

Compound Name[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine
PubChem CID102210990
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1ccc(Oc2ccc(/C(=N/[H])c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2O/c27-25(19-7-3-1-4-8-19)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)26(28)20-9-5-2-6-10-20/h1-18,27-28H/b27-25+,28-26+
InChIKeyFFARJWFJRNSBBM-NBHCHVEOSA-N
XLogP6.31
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine?
The IUPAC name of [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine (CID 102210990) is [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine.
What is the SMILES notation for [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine?
The canonical SMILES for [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine is [H]/N=C(\c1ccccc1)c1ccc(Oc2ccc(/C(=N/[H])c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine?
The InChIKey is FFARJWFJRNSBBM-NBHCHVEOSA-N. The full InChI is InChI=1S/C26H20N2O/c27-25(19-7-3-1-4-8-19)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)26(28)20-9-5-2-6-10-20/h1-18,27-28H/b27-25+,28-26+.
What are the key properties of [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine?
[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine has a molecular weight of 376.46 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine is sourced from PubChem (CID 102210990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).