N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide

C11H10N4O2 — CID 135478140

IUPACN-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
SMILESO=C(N/C=N/O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N4O2/c16-11(13-7-14-17)9-1-3-10(4-2-9)15-6-5-12-8-15/h1-8,17H,(H,13,14,16)
InChIKeyQUCXUVJSMIFRPA-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.02
Rot. Bonds3

About N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide

N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide (PubChem CID 135478140) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
PubChem CID135478140
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
SMILESO=C(N/C=N/O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N4O2/c16-11(13-7-14-17)9-1-3-10(4-2-9)15-6-5-12-8-15/h1-8,17H,(H,13,14,16)
InChIKeyQUCXUVJSMIFRPA-UHFFFAOYSA-N
XLogP1.02
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
CID 135544499
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
4-tert-butyl-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]benzamide
CID 47007350
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 43188203
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide (CID 135478140) is N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide is O=C(N/C=N/O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is QUCXUVJSMIFRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-11(13-7-14-17)9-1-3-10(4-2-9)15-6-5-12-8-15/h1-8,17H,(H,13,14,16).
What are the key properties of N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide?
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 230.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 135478140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).