N'-hydroxybenzenecarboximidamide

C14H16N4O2 — CID 142861747

IUPACN'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1.N/C(=N\O)c1ccccc1
InChIInChI=1S/2C7H8N2O/c2*8-7(9-10)6-4-2-1-3-5-6/h2*1-5,10H,(H2,8,9)
InChIKeyQRJOBBLNCUJICL-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.56
Rot. Bonds2

About N'-hydroxybenzenecarboximidamide

N'-hydroxybenzenecarboximidamide (PubChem CID 142861747) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxybenzenecarboximidamide
PubChem CID142861747
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1.N/C(=N\O)c1ccccc1
InChIInChI=1S/2C7H8N2O/c2*8-7(9-10)6-4-2-1-3-5-6/h2*1-5,10H,(H2,8,9)
InChIKeyQRJOBBLNCUJICL-UHFFFAOYSA-N
XLogP1.56
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.56
H-Bond Donors ≤ 54
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
N'-hydroxy-4-tritylbenzenecarboximidamide
CID 174553752
N'-aminobenzenecarboximidamide
CID 5474957
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
1-benzyl-N'-hydroxypyridin-1-ium-4-carboximidamide bromide
CID 135882393
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 71745689
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
[amino(phenyl)methylidene]carbamic acid
CID 54409873
ethene;N'-methylbenzenecarboximidamide
CID 142294327
N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412

Frequently Asked Questions

What is the IUPAC name of N'-hydroxybenzenecarboximidamide?
The IUPAC name of N'-hydroxybenzenecarboximidamide (CID 142861747) is N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccccc1.N/C(=N\O)c1ccccc1.
What is the InChIKey of N'-hydroxybenzenecarboximidamide?
The InChIKey is QRJOBBLNCUJICL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8N2O/c2*8-7(9-10)6-4-2-1-3-5-6/h2*1-5,10H,(H2,8,9).
What are the key properties of N'-hydroxybenzenecarboximidamide?
N'-hydroxybenzenecarboximidamide has a molecular weight of 272.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 142861747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).