1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile

C13H4F3N5 — CID 115944700

IUPAC1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C13H4F3N5/c14-13(15,16)9-1-2-11(8(3-9)4-17)21-7-20-10(5-18)12(21)6-19/h1-3,7H
InChIKeyGYGQVJMHWKZJAQ-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.51
Rot. Bonds1

About 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile

1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile (PubChem CID 115944700) has the molecular formula C13H4F3N5 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile
PubChem CID115944700
Molecular FormulaC13H4F3N5
Molecular Weight287.20 g/mol
Exact Mass287.04
IUPAC Name1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C13H4F3N5/c14-13(15,16)9-1-2-11(8(3-9)4-17)21-7-20-10(5-18)12(21)6-19/h1-3,7H
InChIKeyGYGQVJMHWKZJAQ-UHFFFAOYSA-N
XLogP2.51
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
[3-[2-cyano-4-(trifluoromethyl)phenyl]-5-methylimidazol-4-yl]methyl-trimethylazanium
CID 87441371
4-(4,5-dicyanoimidazol-1-yl)-3-fluorobenzoic acid
CID 112595426
2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)benzonitrile
CID 62487089
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
CID 112595275
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
2-indazol-1-yl-5-(trifluoromethyl)benzonitrile
CID 62140935
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-5-(trifluoromethyl)benzonitrile
CID 115911319
1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595783
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 171327192
1-(5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595750

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile (CID 115944700) is 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile is N#Cc1cc(C(F)(F)F)ccc1-n1cnc(C#N)c1C#N.
What is the InChIKey of 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile?
The InChIKey is GYGQVJMHWKZJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F3N5/c14-13(15,16)9-1-2-11(8(3-9)4-17)21-7-20-10(5-18)12(21)6-19/h1-3,7H.
What are the key properties of 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile?
1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile has a molecular weight of 287.20 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 115944700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).