1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole

C8H11F3N2 — CID 167245054

IUPAC1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole
SMILESCCn1c(C(F)(F)F)nc(C)c1C
InChIInChI=1S/C8H11F3N2/c1-4-13-6(3)5(2)12-7(13)8(9,10)11/h4H2,1-3H3
InChIKeyDERPMVDQBWQLKS-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.54
Rot. Bonds1

About 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole

1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole (PubChem CID 167245054) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole
PubChem CID167245054
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole
SMILESCCn1c(C(F)(F)F)nc(C)c1C
InChIInChI=1S/C8H11F3N2/c1-4-13-6(3)5(2)12-7(13)8(9,10)11/h4H2,1-3H3
InChIKeyDERPMVDQBWQLKS-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole (CID 167245054) is 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole is CCn1c(C(F)(F)F)nc(C)c1C.
What is the InChIKey of 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole?
The InChIKey is DERPMVDQBWQLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-4-13-6(3)5(2)12-7(13)8(9,10)11/h4H2,1-3H3.
What are the key properties of 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole?
1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole has a molecular weight of 192.18 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dimethyl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 167245054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).