2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile

C19H14F3N3 — CID 82561546

IUPAC2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3/c20-19(21,22)17-7-5-14(6-8-17)11-18-24-9-10-25(18)13-16-4-2-1-3-15(16)12-23/h1-10H,11,13H2
InChIKeyQTKMICVFMHTFAD-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.41
Rot. Bonds4

About 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile

2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561546) has the molecular formula C19H14F3N3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID82561546
Molecular FormulaC19H14F3N3
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3/c20-19(21,22)17-7-5-14(6-8-17)11-18-24-9-10-25(18)13-16-4-2-1-3-15(16)12-23/h1-10H,11,13H2
InChIKeyQTKMICVFMHTFAD-UHFFFAOYSA-N
XLogP4.41
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile (CID 82561546) is 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1ccnc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is QTKMICVFMHTFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3/c20-19(21,22)17-7-5-14(6-8-17)11-18-24-9-10-25(18)13-16-4-2-1-3-15(16)12-23/h1-10H,11,13H2.
What are the key properties of 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile?
2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 341.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).