1-(4-imidazol-1-ylphenyl)ethanimine

C11H11N3 — CID 167508669

IUPAC1-(4-imidazol-1-ylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H11N3/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14/h2-8,12H,1H3/b12-9+
InChIKeyALDPKTFPFVVUBD-FMIVXFBMSA-N
MW185.23 g/mol
LogP2.26
Rot. Bonds2

About 1-(4-imidazol-1-ylphenyl)ethanimine

1-(4-imidazol-1-ylphenyl)ethanimine (PubChem CID 167508669) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)ethanimine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)ethanimine
PubChem CID167508669
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1-(4-imidazol-1-ylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H11N3/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14/h2-8,12H,1H3/b12-9+
InChIKeyALDPKTFPFVVUBD-FMIVXFBMSA-N
XLogP2.26
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-imidazol-1-ylphenyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-pyrrol-1-ylphenyl)ethanimine
CID 145051037
1-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]imidazole
CID 173228165
N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 43188203
2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
CID 6061975
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
(4-imidazol-1-ylphenyl) acetate
CID 594823
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
(4-imidazol-1-ylphenyl)arsane
CID 173134933
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370
methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
CID 1471816
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)ethanimine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)ethanimine (CID 167508669) is 1-(4-imidazol-1-ylphenyl)ethanimine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)ethanimine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)ethanimine is [H]/N=C(\C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)ethanimine?
The InChIKey is ALDPKTFPFVVUBD-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H11N3/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14/h2-8,12H,1H3/b12-9+.
What are the key properties of 1-(4-imidazol-1-ylphenyl)ethanimine?
1-(4-imidazol-1-ylphenyl)ethanimine has a molecular weight of 185.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)ethanimine is sourced from PubChem (CID 167508669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).