2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3O — CID 56789699

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ncn(CC(=O)N(C)CC(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O/c1-7-8(2)16(6-14-7)4-9(17)15(3)5-10(11,12)13/h6H,4-5H2,1-3H3
InChIKeyVQLXNAKQCGZEAW-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.52
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56789699) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56789699
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ncn(CC(=O)N(C)CC(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O/c1-7-8(2)16(6-14-7)4-9(17)15(3)5-10(11,12)13/h6H,4-5H2,1-3H3
InChIKeyVQLXNAKQCGZEAW-UHFFFAOYSA-N
XLogP1.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]piperazin-2-one formate
CID 129612273
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-4,4,4-trifluorobutanamide
CID 21224533
4,5-Dimethyl-1-(2,2,2-trifluoroethyl)imidazole
CID 21806710
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
1,3-Diethyl-4,5-bis(trifluoromethyl)imidazol-1-ium
CID 87918507
4,5-Bis(trifluoromethyl)-1-methyl-3-ethyl-1H-imidazole-3-ium
CID 87918510
Tert-butyl 5-(difluoromethyl)-4-methylimidazole-1-carboxylate
CID 134531444
2-[2-tert-butyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide
CID 156675383
N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide
CID 164965624
1-Propan-2-yl-4,5-bis(trifluoromethyl)imidazole
CID 166740492
N,N-dimethyl-2-[2-propan-2-yl-4-(trifluoromethyl)imidazol-1-yl]acetamide
CID 169809287
2-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]-N,N-dimethylacetamide
CID 169840654

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 56789699) is 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1ncn(CC(=O)N(C)CC(F)(F)F)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VQLXNAKQCGZEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-8(2)16(6-14-7)4-9(17)15(3)5-10(11,12)13/h6H,4-5H2,1-3H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 249.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56789699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).