N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide

C12H12N4O — CID 86577213

IUPACN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H12N4O/c1-10(17)15-14-8-11-2-4-12(5-3-11)16-7-6-13-9-16/h2-9H,1H3,(H,15,17)/b14-8+
InChIKeyZIRCNKALAXTVAY-RIYZIHGNSA-N
MW228.25 g/mol
LogP1.34
Rot. Bonds3

About N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide

N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide (PubChem CID 86577213) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide
PubChem CID86577213
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H12N4O/c1-10(17)15-14-8-11-2-4-12(5-3-11)16-7-6-13-9-16/h2-9H,1H3,(H,15,17)/b14-8+
InChIKeyZIRCNKALAXTVAY-RIYZIHGNSA-N
XLogP1.34
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide (CID 86577213) is N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide is CC(=O)N/N=C/c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide?
The InChIKey is ZIRCNKALAXTVAY-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H12N4O/c1-10(17)15-14-8-11-2-4-12(5-3-11)16-7-6-13-9-16/h2-9H,1H3,(H,15,17)/b14-8+.
What are the key properties of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide?
N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide has a molecular weight of 228.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 86577213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).