1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine

C22H16N2O2 — CID 827669

IUPAC1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine
SMILESC(=N/c1ccc(-c2ccc(/N=C/c3ccco3)cc2)cc1)\c1ccco1
InChIInChI=1S/C22H16N2O2/c1-3-21(25-13-1)15-23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-22-4-2-14-26-22/h1-16H/b23-15+,24-16+
InChIKeyGABRIJCNEJQZLY-DFEHQXHXSA-N
MW340.38 g/mol
LogP6.04
Rot. Bonds5

About 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine

1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine (PubChem CID 827669) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine
PubChem CID827669
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine
SMILESC(=N/c1ccc(-c2ccc(/N=C/c3ccco3)cc2)cc1)\c1ccco1
InChIInChI=1S/C22H16N2O2/c1-3-21(25-13-1)15-23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-22-4-2-14-26-22/h1-16H/b23-15+,24-16+
InChIKeyGABRIJCNEJQZLY-DFEHQXHXSA-N
XLogP6.04
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine (CID 827669) is 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine is C(=N/c1ccc(-c2ccc(/N=C/c3ccco3)cc2)cc1)\c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine?
The InChIKey is GABRIJCNEJQZLY-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-3-21(25-13-1)15-23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-22-4-2-14-26-22/h1-16H/b23-15+,24-16+.
What are the key properties of 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine?
1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine has a molecular weight of 340.38 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[4-[4-(furan-2-ylmethylideneamino)phenyl]phenyl]methanimine is sourced from PubChem (CID 827669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).