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

C18H12F3N3 — CID 82561735

IUPAC2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H12F3N3/c19-18(20,21)16-8-4-3-7-15(16)17-23-9-10-24(17)12-14-6-2-1-5-13(14)11-22/h1-10H,12H2
InChIKeyQVCTWRPXNXRKAD-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.49
Rot. Bonds3

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

2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561735) has the molecular formula C18H12F3N3 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID82561735
Molecular FormulaC18H12F3N3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H12F3N3/c19-18(20,21)16-8-4-3-7-15(16)17-23-9-10-24(17)12-14-6-2-1-5-13(14)11-22/h1-10H,12H2
InChIKeyQVCTWRPXNXRKAD-UHFFFAOYSA-N
XLogP4.49
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561546
2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561625
2-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561566
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62223246
2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile
CID 56873300
N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine
CID 56751407
4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561544
2-[[2-(2-aminopropyl)imidazol-1-yl]methyl]benzonitrile
CID 63096527
2-[[2-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221269
2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561434
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile (CID 82561735) is 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1ccnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is QVCTWRPXNXRKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3/c19-18(20,21)16-8-4-3-7-15(16)17-23-9-10-24(17)12-14-6-2-1-5-13(14)11-22/h1-10H,12H2.
What are the key properties of 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile?
2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 327.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).