N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide

C18H16FN3O — CID 86742210

IUPACN-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide
SMILES[O-][N+](Cc1ccccc1)=C(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c19-17-8-6-16(7-9-17)18(13-21-11-10-20-14-21)22(23)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2
InChIKeyDHXTVXSULHMDKX-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.22
Rot. Bonds5

About N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide

N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide (PubChem CID 86742210) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide
PubChem CID86742210
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide
SMILES[O-][N+](Cc1ccccc1)=C(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c19-17-8-6-16(7-9-17)18(13-21-11-10-20-14-21)22(23)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2
InChIKeyDHXTVXSULHMDKX-UHFFFAOYSA-N
XLogP3.22
TPSA43.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide 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

2-imidazol-1-yl-1-(4-methoxyphenyl)-N-methylethanimine oxide
CID 14085920
1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466
4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 18474516
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
[(E)-1-(4-chlorophenyl)-3-imidazol-1-yl-2-phenylprop-1-enyl] nitrate
CID 22800050
1-(2-phenyl-2-sulfonylethyl)imidazole
CID 21402211
2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 54273924
1-(8-phenyloctyl)imidazole
CID 102394184
4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 67936010
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
1-(4-fluorophenyl)-2-imidazol-1-yl-1-pyridin-2-ylethanol
CID 5302796
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide (CID 86742210) is N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide is [O-][N+](Cc1ccccc1)=C(Cn1ccnc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide?
The InChIKey is DHXTVXSULHMDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-17-8-6-16(7-9-17)18(13-21-11-10-20-14-21)22(23)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2.
What are the key properties of N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide?
N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide has a molecular weight of 309.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide is sourced from PubChem (CID 86742210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).