N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide

C21H16N4 — CID 142469905

IUPACN-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N=C(/N)c1ccccc1)c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C21H16N4/c22-14-18-8-4-5-9-19(18)15-10-12-17(13-11-15)21(24)25-20(23)16-6-2-1-3-7-16/h1-13H,(H3,23,24,25)
InChIKeyKLNQDGUAXZFKGX-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.96
Rot. Bonds3

About N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide

N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide (PubChem CID 142469905) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide
PubChem CID142469905
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC NameN-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N=C(/N)c1ccccc1)c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C21H16N4/c22-14-18-8-4-5-9-19(18)15-10-12-17(13-11-15)21(24)25-20(23)16-6-2-1-3-7-16/h1-13H,(H3,23,24,25)
InChIKeyKLNQDGUAXZFKGX-UHFFFAOYSA-N
XLogP3.96
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(aminomethyl)-5-chlorophenyl]-N'-(benzenecarboximidoyl)benzenecarboximidamide
CID 145212338
2-phenylbenzonitrile;urea
CID 162064762
4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide
CID 130271294
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
4-[2-(aminomethyl)-5-chlorophenyl]-N'-(benzenecarboximidoyl)benzenecarboximidamide;benzenecarboximidamide;toluene
CID 145212337
N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
CID 145110773
N'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
N'-(3,5-diphenylbenzenecarboximidoyl)-9,9'-spirobi[fluorene]-2-carboximidamide
CID 146551315
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
[4-(2-cyanophenyl)phenyl]methylazanium
CID 34364496
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
CID 142938358

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide (CID 142469905) is N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide is [H]/N=C(\N=C(/N)c1ccccc1)c1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide?
The InChIKey is KLNQDGUAXZFKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c22-14-18-8-4-5-9-19(18)15-10-12-17(13-11-15)21(24)25-20(23)16-6-2-1-3-7-16/h1-13H,(H3,23,24,25).
What are the key properties of N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide?
N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide has a molecular weight of 324.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide is sourced from PubChem (CID 142469905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).