2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide

C12H18F3N3O — CID 156675383

IUPAC2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(C(F)(F)F)nc1C(C)(C)C
InChIInChI=1S/C12H18F3N3O/c1-11(2,3)10-16-8(12(13,14)15)6-18(10)7-9(19)17(4)5/h6H,7H2,1-5H3
InChIKeyZKVHTPPKXCZDFH-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.29
Rot. Bonds2

About 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide

2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide (PubChem CID 156675383) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide
PubChem CID156675383
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(C(F)(F)F)nc1C(C)(C)C
InChIInChI=1S/C12H18F3N3O/c1-11(2,3)10-16-8(12(13,14)15)6-18(10)7-9(19)17(4)5/h6H,7H2,1-5H3
InChIKeyZKVHTPPKXCZDFH-UHFFFAOYSA-N
XLogP2.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065558
N-methyl-N-[5-(5-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
CID 15065560
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
3,3,3-Trifluoro-1-(2-{2-[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}pyrrolidin-1-YL)propan-1-one
CID 124039690
(NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine
CID 20518207
1-Tert-butyl-4-(trifluoromethyl)imidazole
CID 58488253
2-[4-(Trifluoromethyl)imidazol-1-yl]propanamide
CID 67130813
3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 67977979
2,2-dimethyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 68221144
1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 68221356
1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 68247225

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide (CID 156675383) is 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(C(F)(F)F)nc1C(C)(C)C.
What is the InChIKey of 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is ZKVHTPPKXCZDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-11(2,3)10-16-8(12(13,14)15)6-18(10)7-9(19)17(4)5/h6H,7H2,1-5H3.
What are the key properties of 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide?
2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 277.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 156675383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).