N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide

C15H12N2O2 — CID 156653500

IUPACN-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1ccccc1)c1ccc2occc2c1
InChIInChI=1S/C15H12N2O2/c18-17-15(16-13-4-2-1-3-5-13)12-6-7-14-11(10-12)8-9-19-14/h1-10,18H,(H,16,17)
InChIKeyACEVBEIBZPXSLZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.49
Rot. Bonds2

About N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide

N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide (PubChem CID 156653500) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide
PubChem CID156653500
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1ccccc1)c1ccc2occc2c1
InChIInChI=1S/C15H12N2O2/c18-17-15(16-13-4-2-1-3-5-13)12-6-7-14-11(10-12)8-9-19-14/h1-10,18H,(H,16,17)
InChIKeyACEVBEIBZPXSLZ-UHFFFAOYSA-N
XLogP3.49
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.49
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-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide?
The IUPAC name of N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide (CID 156653500) is N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide?
The canonical SMILES for N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide is ON/C(=N\c1ccccc1)c1ccc2occc2c1.
What is the InChIKey of N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide?
The InChIKey is ACEVBEIBZPXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-17-15(16-13-4-2-1-3-5-13)12-6-7-14-11(10-12)8-9-19-14/h1-10,18H,(H,16,17).
What are the key properties of N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide?
N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide has a molecular weight of 252.27 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).