4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile

C19H14N2O — CID 126029032

IUPAC4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(/C=N/Cc3ccccc3)o2)cc1
InChIInChI=1S/C19H14N2O/c20-12-15-6-8-17(9-7-15)19-11-10-18(22-19)14-21-13-16-4-2-1-3-5-16/h1-11,14H,13H2/b21-14+
InChIKeyOOEOETRIYMYHQM-KGENOOAVSA-N
MW286.33 g/mol
LogP4.44
Rot. Bonds4

About 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile

4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile (PubChem CID 126029032) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile
PubChem CID126029032
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(/C=N/Cc3ccccc3)o2)cc1
InChIInChI=1S/C19H14N2O/c20-12-15-6-8-17(9-7-15)19-11-10-18(22-19)14-21-13-16-4-2-1-3-5-16/h1-11,14H,13H2/b21-14+
InChIKeyOOEOETRIYMYHQM-KGENOOAVSA-N
XLogP4.44
TPSA49.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile?
The IUPAC name of 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile (CID 126029032) is 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile?
The canonical SMILES for 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile is N#Cc1ccc(-c2ccc(/C=N/Cc3ccccc3)o2)cc1.
What is the InChIKey of 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile?
The InChIKey is OOEOETRIYMYHQM-KGENOOAVSA-N. The full InChI is InChI=1S/C19H14N2O/c20-12-15-6-8-17(9-7-15)19-11-10-18(22-19)14-21-13-16-4-2-1-3-5-16/h1-11,14H,13H2/b21-14+.
What are the key properties of 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile?
4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile has a molecular weight of 286.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile is sourced from PubChem (CID 126029032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).