N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide

C10H10N4O — CID 90886775

IUPACN'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H10N4O/c11-10(14-15)8-3-1-7(2-4-8)9-5-12-6-13-9/h1-6,15H,(H2,11,14)(H,12,13)
InChIKeyHCOAYRIBVKXVLX-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.17
Rot. Bonds2

About N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide

N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide (PubChem CID 90886775) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide
PubChem CID90886775
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H10N4O/c11-10(14-15)8-3-1-7(2-4-8)9-5-12-6-13-9/h1-6,15H,(H2,11,14)(H,12,13)
InChIKeyHCOAYRIBVKXVLX-UHFFFAOYSA-N
XLogP1.17
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.17
H-Bond Donors ≤ 53
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': '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-4-(1H-imidazol-5-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide (CID 90886775) is N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide is NC(=NO)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide?
The InChIKey is HCOAYRIBVKXVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-10(14-15)8-3-1-7(2-4-8)9-5-12-6-13-9/h1-6,15H,(H2,11,14)(H,12,13).
What are the key properties of N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide?
N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide has a molecular weight of 202.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 90886775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).