2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C19H16Cl2F3N3 — CID 68863252

IUPAC2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccccc1CNC(Cc1cc(Cl)cc(Cl)c1)c1ncc[nH]1
InChIInChI=1S/C19H16Cl2F3N3/c20-14-7-12(8-15(21)10-14)9-17(18-25-5-6-26-18)27-11-13-3-1-2-4-16(13)19(22,23)24/h1-8,10,17,27H,9,11H2,(H,25,26)
InChIKeyBQJVHQOCIUQTLO-UHFFFAOYSA-N
MW414.26 g/mol
LogP5.81
Rot. Bonds6

About 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 68863252) has the molecular formula C19H16Cl2F3N3 and a molecular weight of 414.26 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID68863252
Molecular FormulaC19H16Cl2F3N3
Molecular Weight414.26 g/mol
Exact Mass413.07
IUPAC Name2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccccc1CNC(Cc1cc(Cl)cc(Cl)c1)c1ncc[nH]1
InChIInChI=1S/C19H16Cl2F3N3/c20-14-7-12(8-15(21)10-14)9-17(18-25-5-6-26-18)27-11-13-3-1-2-4-16(13)19(22,23)24/h1-8,10,17,27H,9,11H2,(H,25,26)
InChIKeyBQJVHQOCIUQTLO-UHFFFAOYSA-N
XLogP5.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.26
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 68863252) is 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is FC(F)(F)c1ccccc1CNC(Cc1cc(Cl)cc(Cl)c1)c1ncc[nH]1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is BQJVHQOCIUQTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3N3/c20-14-7-12(8-15(21)10-14)9-17(18-25-5-6-26-18)27-11-13-3-1-2-4-16(13)19(22,23)24/h1-8,10,17,27H,9,11H2,(H,25,26).
What are the key properties of 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 414.26 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-1-(1H-imidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 68863252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).