N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide

C10H10N4O3 — CID 90969524

IUPACN'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide
SMILESNC(=NO)c1cccc(-n2cc(O)[nH]c2=O)c1
InChIInChI=1S/C10H10N4O3/c11-9(13-17)6-2-1-3-7(4-6)14-5-8(15)12-10(14)16/h1-5,15,17H,(H2,11,13)(H,12,16)
InChIKeyKQRNRXXTOLJUJA-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.03
Rot. Bonds2

About N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide

N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide (PubChem CID 90969524) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide
PubChem CID90969524
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC NameN'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide
SMILESNC(=NO)c1cccc(-n2cc(O)[nH]c2=O)c1
InChIInChI=1S/C10H10N4O3/c11-9(13-17)6-2-1-3-7(4-6)14-5-8(15)12-10(14)16/h1-5,15,17H,(H2,11,13)(H,12,16)
InChIKeyKQRNRXXTOLJUJA-UHFFFAOYSA-N
XLogP-0.03
TPSA116.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide (CID 90969524) is N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide is NC(=NO)c1cccc(-n2cc(O)[nH]c2=O)c1.
What is the InChIKey of N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide?
The InChIKey is KQRNRXXTOLJUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-9(13-17)6-2-1-3-7(4-6)14-5-8(15)12-10(14)16/h1-5,15,17H,(H2,11,13)(H,12,16).
What are the key properties of N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide?
N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide has a molecular weight of 234.22 g/mol, XLogP of -0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(5-hydroxy-2-oxo-1H-imidazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 90969524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).