3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile

C22H14N4O2 — CID 137086335

IUPAC3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc(C#N)ccc2O)c1
InChIInChI=1S/C22H14N4O2/c23-11-15-5-7-21(27)17(9-15)13-25-19-3-1-2-4-20(19)26-14-18-10-16(12-24)6-8-22(18)28/h1-10,13-14,27-28H/b25-13+,26-14+
InChIKeyFEUXBBIULBCTCO-BKHCZYBLSA-N
MW366.38 g/mol
LogP4.34
Rot. Bonds4

About 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile

3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile (PubChem CID 137086335) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile
PubChem CID137086335
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc(C#N)ccc2O)c1
InChIInChI=1S/C22H14N4O2/c23-11-15-5-7-21(27)17(9-15)13-25-19-3-1-2-4-20(19)26-14-18-10-16(12-24)6-8-22(18)28/h1-10,13-14,27-28H/b25-13+,26-14+
InChIKeyFEUXBBIULBCTCO-BKHCZYBLSA-N
XLogP4.34
TPSA112.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
3-formyl-4-hydroxybenzonitrile
CID 11789350
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 721960
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 135657361
2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile
CID 67428340
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile
CID 717751
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile?
The IUPAC name of 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile (CID 137086335) is 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile.
What is the SMILES notation for 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile?
The canonical SMILES for 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile is N#Cc1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc(C#N)ccc2O)c1.
What is the InChIKey of 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile?
The InChIKey is FEUXBBIULBCTCO-BKHCZYBLSA-N. The full InChI is InChI=1S/C22H14N4O2/c23-11-15-5-7-21(27)17(9-15)13-25-19-3-1-2-4-20(19)26-14-18-10-16(12-24)6-8-22(18)28/h1-10,13-14,27-28H/b25-13+,26-14+.
What are the key properties of 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile?
3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile has a molecular weight of 366.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile is sourced from PubChem (CID 137086335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).