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

C19H14F3N3 — CID 82561544

IUPAC4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3/c20-19(21,22)17-4-2-1-3-16(17)11-18-24-9-10-25(18)13-15-7-5-14(12-23)6-8-15/h1-10H,11,13H2
InChIKeyXEKOCKUPPOZJLX-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.41
Rot. Bonds4

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

4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561544) has the molecular formula C19H14F3N3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID82561544
Molecular FormulaC19H14F3N3
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3/c20-19(21,22)17-4-2-1-3-16(17)11-18-24-9-10-25(18)13-15-7-5-14(12-23)6-8-15/h1-10H,11,13H2
InChIKeyXEKOCKUPPOZJLX-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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Related Compounds

4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 54572822
N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558534
2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561546
2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560307
4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile
CID 57045825
4-[[2-[(4-methylsulfonylphenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561532
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
CID 82561735
3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 141033978
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile (CID 82561544) is 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2ccnc2Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is XEKOCKUPPOZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3/c20-19(21,22)17-4-2-1-3-16(17)11-18-24-9-10-25(18)13-15-7-5-14(12-23)6-8-15/h1-10H,11,13H2.
What are the key properties of 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile?
4-[[2-[[2-(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 4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).