4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide

C12H12N4O2 — CID 135544499

IUPAC4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
SMILESCON=CNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H12N4O2/c1-18-15-8-14-12(17)10-2-4-11(5-3-10)16-7-6-13-9-16/h2-9H,1H3,(H,14,15,17)
InChIKeyAWBXYVGETLVFFG-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.19
Rot. Bonds4

About 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide

4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide (PubChem CID 135544499) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
PubChem CID135544499
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
SMILESCON=CNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H12N4O2/c1-18-15-8-14-12(17)10-2-4-11(5-3-10)16-7-6-13-9-16/h2-9H,1H3,(H,14,15,17)
InChIKeyAWBXYVGETLVFFG-UHFFFAOYSA-N
XLogP1.19
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine
CID 58835268
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
CID 1471816
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
4-tert-butyl-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]benzamide
CID 47007350
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide?
The IUPAC name of 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide (CID 135544499) is 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide is CON=CNC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide?
The InChIKey is AWBXYVGETLVFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-15-8-14-12(17)10-2-4-11(5-3-10)16-7-6-13-9-16/h2-9H,1H3,(H,14,15,17).
What are the key properties of 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide?
4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide has a molecular weight of 244.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide is sourced from PubChem (CID 135544499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).