4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile

C22H14N4 — CID 794690

IUPAC4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile
SMILESN#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H14N4/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h1-12,15-16H/b25-15+,26-16+
InChIKeyCPKWIIGGNSBNSB-RYQLWAFASA-N
MW334.38 g/mol
LogP4.93
Rot. Bonds4

About 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile

4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile (PubChem CID 794690) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile
PubChem CID794690
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile
SMILESN#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H14N4/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h1-12,15-16H/b25-15+,26-16+
InChIKeyCPKWIIGGNSBNSB-RYQLWAFASA-N
XLogP4.93
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.93
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 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile?
The IUPAC name of 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile (CID 794690) is 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile.
What is the SMILES notation for 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile?
The canonical SMILES for 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile is N#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile?
The InChIKey is CPKWIIGGNSBNSB-RYQLWAFASA-N. The full InChI is InChI=1S/C22H14N4/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h1-12,15-16H/b25-15+,26-16+.
What are the key properties of 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile?
4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile has a molecular weight of 334.38 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-cyanophenyl)iminomethyl]phenyl]methylideneamino]benzonitrile is sourced from PubChem (CID 794690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).