2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile

C6HF3N4 — CID 604210

IUPAC2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(C(F)(F)F)[nH]c1C#N
InChIInChI=1S/C6HF3N4/c7-6(8,9)5-12-3(1-10)4(2-11)13-5/h(H,12,13)
InChIKeyMBVGJZDLUQNERS-UHFFFAOYSA-N
MW186.10 g/mol
LogP1.17
Rot. Bonds

About 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile

2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile (PubChem CID 604210) has the molecular formula C6HF3N4 and a molecular weight of 186.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile
PubChem CID604210
Molecular FormulaC6HF3N4
Molecular Weight186.10 g/mol
Exact Mass186.02
IUPAC Name2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(C(F)(F)F)[nH]c1C#N
InChIInChI=1S/C6HF3N4/c7-6(8,9)5-12-3(1-10)4(2-11)13-5/h(H,12,13)
InChIKeyMBVGJZDLUQNERS-UHFFFAOYSA-N
XLogP1.17
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile (CID 604210) is 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile is N#Cc1nc(C(F)(F)F)[nH]c1C#N.
What is the InChIKey of 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is MBVGJZDLUQNERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF3N4/c7-6(8,9)5-12-3(1-10)4(2-11)13-5/h(H,12,13).
What are the key properties of 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile?
2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 186.10 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 604210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).