N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine

C14H15ClFN3O — CID 13376104

IUPACN-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine
SMILESCCOC(C)/C(=N\c1ccc(F)cc1Cl)n1ccnc1
InChIInChI=1S/C14H15ClFN3O/c1-3-20-10(2)14(19-7-6-17-9-19)18-13-5-4-11(16)8-12(13)15/h4-10H,3H2,1-2H3/b18-14+
InChIKeyOCCPDGWYBVXIPE-NBVRZTHBSA-N
MW295.75 g/mol
LogP3.68
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine

N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine (PubChem CID 13376104) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine
PubChem CID13376104
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine
SMILESCCOC(C)/C(=N\c1ccc(F)cc1Cl)n1ccnc1
InChIInChI=1S/C14H15ClFN3O/c1-3-20-10(2)14(19-7-6-17-9-19)18-13-5-4-11(16)8-12(13)15/h4-10H,3H2,1-2H3/b18-14+
InChIKeyOCCPDGWYBVXIPE-NBVRZTHBSA-N
XLogP3.68
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine (CID 13376104) is N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine is CCOC(C)/C(=N\c1ccc(F)cc1Cl)n1ccnc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine?
The InChIKey is OCCPDGWYBVXIPE-NBVRZTHBSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-3-20-10(2)14(19-7-6-17-9-19)18-13-5-4-11(16)8-12(13)15/h4-10H,3H2,1-2H3/b18-14+.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine?
N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine has a molecular weight of 295.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-ethoxy-1-imidazol-1-ylpropan-1-imine is sourced from PubChem (CID 13376104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).