N,N'-bis(2-hydroxyphenyl)methanimidamide

C13H12N2O2 — CID 15496732

IUPACN,N'-bis(2-hydroxyphenyl)methanimidamide
SMILESOc1ccccc1/N=C/Nc1ccccc1O
InChIInChI=1S/C13H12N2O2/c16-12-7-3-1-5-10(12)14-9-15-11-6-2-4-8-13(11)17/h1-9,16-17H,(H,14,15)
InChIKeyDDGHODCRYMEKRA-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.87
Rot. Bonds3

About N,N'-bis(2-hydroxyphenyl)methanimidamide

N,N'-bis(2-hydroxyphenyl)methanimidamide (PubChem CID 15496732) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N,N'-bis(2-hydroxyphenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxyphenyl)methanimidamide
PubChem CID15496732
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN,N'-bis(2-hydroxyphenyl)methanimidamide
SMILESOc1ccccc1/N=C/Nc1ccccc1O
InChIInChI=1S/C13H12N2O2/c16-12-7-3-1-5-10(12)14-9-15-11-6-2-4-8-13(11)17/h1-9,16-17H,(H,14,15)
InChIKeyDDGHODCRYMEKRA-UHFFFAOYSA-N
XLogP2.87
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxyphenyl)methanimidamide?
The IUPAC name of N,N'-bis(2-hydroxyphenyl)methanimidamide (CID 15496732) is N,N'-bis(2-hydroxyphenyl)methanimidamide.
What is the SMILES notation for N,N'-bis(2-hydroxyphenyl)methanimidamide?
The canonical SMILES for N,N'-bis(2-hydroxyphenyl)methanimidamide is Oc1ccccc1/N=C/Nc1ccccc1O.
What is the InChIKey of N,N'-bis(2-hydroxyphenyl)methanimidamide?
The InChIKey is DDGHODCRYMEKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-7-3-1-5-10(12)14-9-15-11-6-2-4-8-13(11)17/h1-9,16-17H,(H,14,15).
What are the key properties of N,N'-bis(2-hydroxyphenyl)methanimidamide?
N,N'-bis(2-hydroxyphenyl)methanimidamide has a molecular weight of 228.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxyphenyl)methanimidamide is sourced from PubChem (CID 15496732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).