N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide

C10H10N4O — CID 43188203

IUPACN'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H10N4O/c11-10(13-15)8-1-3-9(4-2-8)14-6-5-12-7-14/h1-7,15H,(H2,11,13)
InChIKeyPRGDJRQUKSTKTB-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.97
Rot. Bonds2

About N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide

N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide (PubChem CID 43188203) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
PubChem CID43188203
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H10N4O/c11-10(13-15)8-1-3-9(4-2-8)14-6-5-12-7-14/h1-7,15H,(H2,11,13)
InChIKeyPRGDJRQUKSTKTB-UHFFFAOYSA-N
XLogP0.97
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
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'-hydroxy-6-imidazol-1-ylpyridine-3-carboximidamide
CID 24699281
3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 82799187
2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
CID 6061975
1-(4-imidazol-1-ylphenyl)ethanimine
CID 167508669
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
1-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]imidazole
CID 173228165
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine
CID 72730801
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
(4-imidazol-1-ylphenyl)arsane
CID 173134933
N'-hydroxy-4-(3-imidazol-1-ylpropoxy)benzenecarboximidamide
CID 109374420

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide (CID 43188203) is N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide is N/C(=N\O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide?
The InChIKey is PRGDJRQUKSTKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-10(13-15)8-1-3-9(4-2-8)14-6-5-12-7-14/h1-7,15H,(H2,11,13).
What are the key properties of N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide?
N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide has a molecular weight of 202.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide is sourced from PubChem (CID 43188203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).