4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile

C17H15N3 — CID 54241340

IUPAC4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile
SMILESC/C(=N/N=C\c1ccc(C)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H15N3/c1-13-3-5-16(6-4-13)12-19-20-14(2)17-9-7-15(11-18)8-10-17/h3-10,12H,1-2H3/b19-12-,20-14-
InChIKeyFGZUMQYRNIOHRZ-LUPFXAGCSA-N
MW261.33 g/mol
LogP3.71
Rot. Bonds3

About 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile

4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile (PubChem CID 54241340) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile
PubChem CID54241340
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile
SMILESC/C(=N/N=C\c1ccc(C)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H15N3/c1-13-3-5-16(6-4-13)12-19-20-14(2)17-9-7-15(11-18)8-10-17/h3-10,12H,1-2H3/b19-12-,20-14-
InChIKeyFGZUMQYRNIOHRZ-LUPFXAGCSA-N
XLogP3.71
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine
CID 139599982
2-[(E)-(4-cyanophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 54611166
4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile
CID 71903233
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
CID 171376890
ethane;4-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]benzonitrile
CID 145492702
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
2-fluoro-4-[(E)-[(E)-(4-methylphenyl)methylidenehydrazinylidene]methyl]benzonitrile
CID 19368912
N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide
CID 12966223
4-(ethyliminomethyl)benzonitrile
CID 12927009
N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 72956691
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027481
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile?
The IUPAC name of 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile (CID 54241340) is 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile?
The canonical SMILES for 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile is C/C(=N/N=C\c1ccc(C)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile?
The InChIKey is FGZUMQYRNIOHRZ-LUPFXAGCSA-N. The full InChI is InChI=1S/C17H15N3/c1-13-3-5-16(6-4-13)12-19-20-14(2)17-9-7-15(11-18)8-10-17/h3-10,12H,1-2H3/b19-12-,20-14-.
What are the key properties of 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile?
4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile has a molecular weight of 261.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile is sourced from PubChem (CID 54241340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).