N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine

C18H13ClF3N3 — CID 12873643

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine
SMILESFC(F)(F)c1cc(Cl)ccc1/N=C(\Cc1ccccc1)n1ccnc1
InChIInChI=1S/C18H13ClF3N3/c19-14-6-7-16(15(11-14)18(20,21)22)24-17(25-9-8-23-12-25)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2/b24-17+
InChIKeyBLDLNVCOHYMOQP-JJIBRWJFSA-N
MW363.77 g/mol
LogP5.38
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine (PubChem CID 12873643) has the molecular formula C18H13ClF3N3 and a molecular weight of 363.77 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine
PubChem CID12873643
Molecular FormulaC18H13ClF3N3
Molecular Weight363.77 g/mol
Exact Mass363.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine
SMILESFC(F)(F)c1cc(Cl)ccc1/N=C(\Cc1ccccc1)n1ccnc1
InChIInChI=1S/C18H13ClF3N3/c19-14-6-7-16(15(11-14)18(20,21)22)24-17(25-9-8-23-12-25)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2/b24-17+
InChIKeyBLDLNVCOHYMOQP-JJIBRWJFSA-N
XLogP5.38
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.77
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine (CID 12873643) is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine is FC(F)(F)c1cc(Cl)ccc1/N=C(\Cc1ccccc1)n1ccnc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine?
The InChIKey is BLDLNVCOHYMOQP-JJIBRWJFSA-N. The full InChI is InChI=1S/C18H13ClF3N3/c19-14-6-7-16(15(11-14)18(20,21)22)24-17(25-9-8-23-12-25)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2/b24-17+.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine has a molecular weight of 363.77 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine is sourced from PubChem (CID 12873643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).