2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide

C17H18N4O — CID 168664778

IUPAC2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide
SMILESCC(=NN=Cc1ccccc1)/C(=N/c1ccc(C)cc1)NO
InChIInChI=1S/C17H18N4O/c1-13-8-10-16(11-9-13)19-17(21-22)14(2)20-18-12-15-6-4-3-5-7-15/h3-12,22H,1-2H3,(H,19,21)
InChIKeyOOZKVRHCGOKBSJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.50
Rot. Bonds4

About 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide

2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide (PubChem CID 168664778) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide.

Molecular Properties

Compound Name2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide
PubChem CID168664778
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide
SMILESCC(=NN=Cc1ccccc1)/C(=N/c1ccc(C)cc1)NO
InChIInChI=1S/C17H18N4O/c1-13-8-10-16(11-9-13)19-17(21-22)14(2)20-18-12-15-6-4-3-5-7-15/h3-12,22H,1-2H3,(H,19,21)
InChIKeyOOZKVRHCGOKBSJ-UHFFFAOYSA-N
XLogP3.50
TPSA69.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide 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

1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea
CID 135804052
N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide
CID 54606152
(2E)-N-hydroxy-N'-phenyl-2-(phenylhydrazinylidene)propanimidamide
CID 135776417
N'-[4-[bis(2-chloroethyl)amino]phenyl]-2-(furan-2-ylmethylidenehydrazinylidene)-N-hydroxypropanimidamide
CID 168664830
(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
CID 136815583
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
CID 171376890
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1-hydroxy-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid
CID 139982830
(2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide
CID 137274253
N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide
CID 611980

Frequently Asked Questions

What is the IUPAC name of 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
The IUPAC name of 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide (CID 168664778) is 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide.
What is the SMILES notation for 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
The canonical SMILES for 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide is CC(=NN=Cc1ccccc1)/C(=N/c1ccc(C)cc1)NO.
What is the InChIKey of 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
The InChIKey is OOZKVRHCGOKBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13-8-10-16(11-9-13)19-17(21-22)14(2)20-18-12-15-6-4-3-5-7-15/h3-12,22H,1-2H3,(H,19,21).
What are the key properties of 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide has a molecular weight of 294.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide is sourced from PubChem (CID 168664778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).