N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine

C14H13ClF3N3O — CID 14327498

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine
SMILESCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1
InChIInChI=1S/C14H13ClF3N3O/c1-2-22-8-13(21-6-5-19-9-21)20-12-4-3-10(15)7-11(12)14(16,17)18/h3-7,9H,2,8H2,1H3/b20-13+
InChIKeyNQPGZZOSPQMMJW-DEDYPNTBSA-N
MW331.73 g/mol
LogP4.17
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine (PubChem CID 14327498) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine
PubChem CID14327498
Molecular FormulaC14H13ClF3N3O
Molecular Weight331.73 g/mol
Exact Mass331.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine
SMILESCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1
InChIInChI=1S/C14H13ClF3N3O/c1-2-22-8-13(21-6-5-19-9-21)20-12-4-3-10(15)7-11(12)14(16,17)18/h3-7,9H,2,8H2,1H3/b20-13+
InChIKeyNQPGZZOSPQMMJW-DEDYPNTBSA-N
XLogP4.17
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.17
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-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine 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-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine (CID 14327498) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine is CCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine?
The InChIKey is NQPGZZOSPQMMJW-DEDYPNTBSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c1-2-22-8-13(21-6-5-19-9-21)20-12-4-3-10(15)7-11(12)14(16,17)18/h3-7,9H,2,8H2,1H3/b20-13+.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine has a molecular weight of 331.73 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine is sourced from PubChem (CID 14327498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).