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

C6HF3N4 — CID 162539224

IUPAC5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile
SMILESN#Cc1nc(C#N)c(C(F)(F)F)[nH]1
InChIInChI=1S/C6HF3N4/c7-6(8,9)5-3(1-10)12-4(2-11)13-5/h(H,12,13)
InChIKeyYIQYTFSOLIJNGO-UHFFFAOYSA-N
MW186.10 g/mol
LogP1.17
Rot. Bonds

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

5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile (PubChem CID 162539224) has the molecular formula C6HF3N4 and a molecular weight of 186.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile
PubChem CID162539224
Molecular FormulaC6HF3N4
Molecular Weight186.10 g/mol
Exact Mass186.02
IUPAC Name5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile
SMILESN#Cc1nc(C#N)c(C(F)(F)F)[nH]1
InChIInChI=1S/C6HF3N4/c7-6(8,9)5-3(1-10)12-4(2-11)13-5/h(H,12,13)
InChIKeyYIQYTFSOLIJNGO-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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Related Compounds

2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile
CID 139782013
5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile
CID 10987216
5-iodo-2-(trifluoromethyl)-1,3-oxazole-4-carbonitrile
CID 135394322
6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 83402046
5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile
CID 18947714
5-(trifluoromethyl)thiadiazole-4-carbonitrile
CID 151067685
1H-benzimidazole-2-carbonitrile
CID 843858
methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097358
5-(trifluoromethyl)-1H-imidazole-2,4-diamine
CID 69332688
6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
CID 43829356
4-fluoro-1H-benzimidazole-2-carbonitrile
CID 83433358
2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile
CID 67256645

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile?
The IUPAC name of 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile (CID 162539224) is 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile.
What is the SMILES notation for 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile?
The canonical SMILES for 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile is N#Cc1nc(C#N)c(C(F)(F)F)[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile?
The InChIKey is YIQYTFSOLIJNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF3N4/c7-6(8,9)5-3(1-10)12-4(2-11)13-5/h(H,12,13).
What are the key properties of 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile?
5-(trifluoromethyl)-1H-imidazole-2,4-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 5-(trifluoromethyl)-1H-imidazole-2,4-dicarbonitrile is sourced from PubChem (CID 162539224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).