3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile

C7H6F3N3 — CID 82404833

IUPAC3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile
SMILESCc1nc(C(F)(F)F)n(C)c1C#N
InChIInChI=1S/C7H6F3N3/c1-4-5(3-11)13(2)6(12-4)7(8,9)10/h1-2H3
InChIKeyJDVHXMAASCASLP-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.62
Rot. Bonds

About 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile

3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile (PubChem CID 82404833) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile
PubChem CID82404833
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile
SMILESCc1nc(C(F)(F)F)n(C)c1C#N
InChIInChI=1S/C7H6F3N3/c1-4-5(3-11)13(2)6(12-4)7(8,9)10/h1-2H3
InChIKeyJDVHXMAASCASLP-UHFFFAOYSA-N
XLogP1.62
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile?
The IUPAC name of 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile (CID 82404833) is 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile.
What is the SMILES notation for 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile?
The canonical SMILES for 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile is Cc1nc(C(F)(F)F)n(C)c1C#N.
What is the InChIKey of 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile?
The InChIKey is JDVHXMAASCASLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c1-4-5(3-11)13(2)6(12-4)7(8,9)10/h1-2H3.
What are the key properties of 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile?
3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile has a molecular weight of 189.14 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(trifluoromethyl)imidazole-4-carbonitrile is sourced from PubChem (CID 82404833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).