2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile

C8H5F3N4 — CID 143165200

IUPAC2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1CC(F)(F)F
InChIInChI=1S/C8H5F3N4/c1-5-14-6(2-12)7(3-13)15(5)4-8(9,10)11/h4H2,1H3
InChIKeyRJOLMILSMXFWMO-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.50
Rot. Bonds1

About 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile

2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile (PubChem CID 143165200) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile
PubChem CID143165200
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1CC(F)(F)F
InChIInChI=1S/C8H5F3N4/c1-5-14-6(2-12)7(3-13)15(5)4-8(9,10)11/h4H2,1H3
InChIKeyRJOLMILSMXFWMO-UHFFFAOYSA-N
XLogP1.50
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 12239847
2-Fluoro-1-methylimidazole-4,5-dicarbonitrile
CID 10773133
1-Ethyl-1H-imidazole-4,5-dicarbonitrile
CID 15721926
2-(Difluoromethyl)-1-methylimidazole-4,5-dicarbonitrile
CID 138985010
2-Fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
CID 155932247
1-Methyl-5-(trifluoromethyl)imidazole-4-carbonitrile
CID 164686208
1,2,3,4,5-Pentamethylimidazol-1-ium
CID 11032788
1-Methyl-2-vinyl-4,5-dicyanoimidazole
CID 12113162
5-amino-1,2-dimethyl-1H-imidazole-4-carbonitrile
CID 12730732
1-Ethyl trimethylimidazole
CID 24871657
1-(2,2,2-Trifluoroethyl)-1H-imidazole-4,5-dicarbonitrile
CID 11367647
4,5-Dimethyl-1-(2,2,2-trifluoroethyl)imidazole
CID 21806710

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile (CID 143165200) is 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile is Cc1nc(C#N)c(C#N)n1CC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is RJOLMILSMXFWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c1-5-14-6(2-12)7(3-13)15(5)4-8(9,10)11/h4H2,1H3.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile?
2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 214.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 143165200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).