N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide

C14H13N3O — CID 54606152

IUPACN'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\N=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c18-17-14(13-9-5-2-6-10-13)16-15-11-12-7-3-1-4-8-12/h1-11,18H,(H,16,17)/b15-11+
InChIKeyHLMFBJYRHDIWFZ-RVDMUPIBSA-N
MW239.28 g/mol
LogP2.45
Rot. Bonds3

About N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide

N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide (PubChem CID 54606152) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide
PubChem CID54606152
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\N=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c18-17-14(13-9-5-2-6-10-13)16-15-11-12-7-3-1-4-8-12/h1-11,18H,(H,16,17)/b15-11+
InChIKeyHLMFBJYRHDIWFZ-RVDMUPIBSA-N
XLogP2.45
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide?
The IUPAC name of N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide (CID 54606152) is N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide is ON/C(=N\N=C\c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide?
The InChIKey is HLMFBJYRHDIWFZ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H13N3O/c18-17-14(13-9-5-2-6-10-13)16-15-11-12-7-3-1-4-8-12/h1-11,18H,(H,16,17)/b15-11+.
What are the key properties of N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide?
N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide has a molecular weight of 239.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54606152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).