[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide

C17H20IN3O — CID 54610188

IUPAC[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide
SMILESC[N+](C)(C)c1ccc(/C=N\NC(=O)c2ccccc2)cc1.[I-]
InChIInChI=1S/C17H19N3O.HI/c1-20(2,3)16-11-9-14(10-12-16)13-18-19-17(21)15-7-5-4-6-8-15;/h4-13H,1-3H3;1H/b18-13-;
InChIKeySEPQWCPFHRPVQQ-AAKIMCHBSA-N
MW409.27 g/mol
LogP-0.35
Rot. Bonds4

About [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide

[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide (PubChem CID 54610188) has the molecular formula C17H20IN3O and a molecular weight of 409.27 g/mol. Its IUPAC name is [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide
PubChem CID54610188
Molecular FormulaC17H20IN3O
Molecular Weight409.27 g/mol
Exact Mass409.07
IUPAC Name[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide
SMILESC[N+](C)(C)c1ccc(/C=N\NC(=O)c2ccccc2)cc1.[I-]
InChIInChI=1S/C17H19N3O.HI/c1-20(2,3)16-11-9-14(10-12-16)13-18-19-17(21)15-7-5-4-6-8-15;/h4-13H,1-3H3;1H/b18-13-;
InChIKeySEPQWCPFHRPVQQ-AAKIMCHBSA-N
XLogP-0.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide 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

N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
CID 6864967
N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 139068504
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
CID 6957334
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide?
The IUPAC name of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide (CID 54610188) is [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide.
What is the SMILES notation for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide?
The canonical SMILES for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide is C[N+](C)(C)c1ccc(/C=N\NC(=O)c2ccccc2)cc1.[I-].
What is the InChIKey of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide?
The InChIKey is SEPQWCPFHRPVQQ-AAKIMCHBSA-N. The full InChI is InChI=1S/C17H19N3O.HI/c1-20(2,3)16-11-9-14(10-12-16)13-18-19-17(21)15-7-5-4-6-8-15;/h4-13H,1-3H3;1H/b18-13-;.
What are the key properties of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide?
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide has a molecular weight of 409.27 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide is sourced from PubChem (CID 54610188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).