N'-hydroxy-2-phenylbenzenecarboximidamide

C13H12N2O — CID 5100833

IUPACN'-hydroxy-2-phenylbenzenecarboximidamide
SMILESNC(=NO)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H12N2O/c14-13(15-16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,16H,(H2,14,15)
InChIKeyLCIZCSULJBGMDM-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.45
Rot. Bonds2

About N'-hydroxy-2-phenylbenzenecarboximidamide

N'-hydroxy-2-phenylbenzenecarboximidamide (PubChem CID 5100833) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N'-hydroxy-2-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenylbenzenecarboximidamide
PubChem CID5100833
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN'-hydroxy-2-phenylbenzenecarboximidamide
SMILESNC(=NO)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H12N2O/c14-13(15-16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,16H,(H2,14,15)
InChIKeyLCIZCSULJBGMDM-UHFFFAOYSA-N
XLogP2.45
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-2-phenylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-phenylbenzenecarboximidamide (CID 5100833) is N'-hydroxy-2-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-phenylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-phenylbenzenecarboximidamide is NC(=NO)c1ccccc1-c1ccccc1.
What is the InChIKey of N'-hydroxy-2-phenylbenzenecarboximidamide?
The InChIKey is LCIZCSULJBGMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(15-16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,16H,(H2,14,15).
What are the key properties of N'-hydroxy-2-phenylbenzenecarboximidamide?
N'-hydroxy-2-phenylbenzenecarboximidamide has a molecular weight of 212.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenylbenzenecarboximidamide is sourced from PubChem (CID 5100833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).