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

C8H11F3N2 — CID 59746130

IUPAC5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole
SMILESCCc1c(CC(F)(F)F)ncn1C
InChIInChI=1S/C8H11F3N2/c1-3-7-6(4-8(9,10)11)12-5-13(7)2/h5H,3-4H2,1-2H3
InChIKeyIKBSEKDRAKNBNS-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.09
Rot. Bonds2

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

5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole (PubChem CID 59746130) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole
PubChem CID59746130
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole
SMILESCCc1c(CC(F)(F)F)ncn1C
InChIInChI=1S/C8H11F3N2/c1-3-7-6(4-8(9,10)11)12-5-13(7)2/h5H,3-4H2,1-2H3
InChIKeyIKBSEKDRAKNBNS-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-Butyl-4-(propan-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 14735431
1H-Imidazole-4-ethanamine, 1,5-dimethyl-
CID 573597
4-Butyl-1,5-dipropylimidazole
CID 11769714
5-Methyl-4-pentafluoroethylimidazole
CID 19789824
1,4-Dimethyl-5-(trifluoromethyl)imidazole
CID 20719661
5-methyl-4-(1,1,2,2-tetrafluoroethyl)-1H-imidazole
CID 21748182
1,5-Dimethyl-4-(trifluoromethyl)-1H-imidazole
CID 45088819
CID 89035427
CID 89035427
CID 89035429
CID 89035429
5-(Bromomethyl)-1-methyl-4-propyl-2-(trifluoromethyl)imidazole
CID 90921967
5-(1-Chloroethyl)-1,4-dimethyl-2-(trifluoromethyl)imidazole
CID 91299140

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole (CID 59746130) is 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole is CCc1c(CC(F)(F)F)ncn1C.
What is the InChIKey of 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is IKBSEKDRAKNBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-7-6(4-8(9,10)11)12-5-13(7)2/h5H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole?
5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 192.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 59746130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).