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

C12H8F3N3 — CID 82561680

IUPAC2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
SMILESN#CCn1ccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8F3N3/c13-12(14,15)10-3-1-9(2-4-10)11-17-6-8-18(11)7-5-16/h1-4,6,8H,7H2
InChIKeyBQKBDBZVMLDLPP-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.09
Rot. Bonds2

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

2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile (PubChem CID 82561680) has the molecular formula C12H8F3N3 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
PubChem CID82561680
Molecular FormulaC12H8F3N3
Molecular Weight251.21 g/mol
Exact Mass251.07
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
SMILESN#CCn1ccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8F3N3/c13-12(14,15)10-3-1-9(2-4-10)11-17-6-8-18(11)7-5-16/h1-4,6,8H,7H2
InChIKeyBQKBDBZVMLDLPP-UHFFFAOYSA-N
XLogP3.09
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
methyl-bis[3-(trifluoromethyl)phenyl]borane;2-(2-phenylimidazol-1-yl)acetonitrile
CID 88515272
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377
2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile
CID 39151520
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
CID 82561742
2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile
CID 82561718
2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
CID 86792569
2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
CID 130571123
2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole
CID 113327565
N-[2-(2-methylimidazol-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 61492963

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile (CID 82561680) is 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile is N#CCn1ccnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile?
The InChIKey is BQKBDBZVMLDLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3/c13-12(14,15)10-3-1-9(2-4-10)11-17-6-8-18(11)7-5-16/h1-4,6,8H,7H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile?
2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile has a molecular weight of 251.21 g/mol, XLogP of 3.09, 2 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]imidazol-1-yl]acetonitrile is sourced from PubChem (CID 82561680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).