2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile

C22H14N4 — CID 67428340

IUPAC2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile
SMILESN#Cc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1C#N
InChIInChI=1S/C22H14N4/c23-13-17-7-1-3-9-19(17)15-25-21-11-5-6-12-22(21)26-16-20-10-4-2-8-18(20)14-24/h1-12,15-16H/b25-15+,26-16+
InChIKeyUIMCJLQQKFTMLC-RYQLWAFASA-N
MW334.38 g/mol
LogP4.93
Rot. Bonds4

About 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile

2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile (PubChem CID 67428340) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile
PubChem CID67428340
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile
SMILESN#Cc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1C#N
InChIInChI=1S/C22H14N4/c23-13-17-7-1-3-9-19(17)15-25-21-11-5-6-12-22(21)26-16-20-10-4-2-8-18(20)14-24/h1-12,15-16H/b25-15+,26-16+
InChIKeyUIMCJLQQKFTMLC-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 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile?
The IUPAC name of 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile (CID 67428340) is 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile.
What is the SMILES notation for 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile?
The canonical SMILES for 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile is N#Cc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1C#N.
What is the InChIKey of 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile?
The InChIKey is UIMCJLQQKFTMLC-RYQLWAFASA-N. The full InChI is InChI=1S/C22H14N4/c23-13-17-7-1-3-9-19(17)15-25-21-11-5-6-12-22(21)26-16-20-10-4-2-8-18(20)14-24/h1-12,15-16H/b25-15+,26-16+.
What are the key properties of 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile?
2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]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 2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile is sourced from PubChem (CID 67428340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).