N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide

C9H12F3N3O — CID 164965624

IUPACN,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide
SMILESCc1nc(C(F)(F)F)cn1CC(=O)N(C)C
InChIInChI=1S/C9H12F3N3O/c1-6-13-7(9(10,11)12)4-15(6)5-8(16)14(2)3/h4H,5H2,1-3H3
InChIKeyCLCABMMRYPUGNC-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.30
Rot. Bonds2

About N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide

N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide (PubChem CID 164965624) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide
PubChem CID164965624
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide
SMILESCc1nc(C(F)(F)F)cn1CC(=O)N(C)C
InChIInChI=1S/C9H12F3N3O/c1-6-13-7(9(10,11)12)4-15(6)5-8(16)14(2)3/h4H,5H2,1-3H3
InChIKeyCLCABMMRYPUGNC-UHFFFAOYSA-N
XLogP1.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.30
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
N,N-Dimethyl-2-(5-methyl-2-nitro-1H-imidazol-1-yl)acetamide
CID 90197
1,4-Dimethyl-1H-imidazole-2-carbaldehyde
CID 28951040
1,5-dimethyl-1H-imidazole-2-carbaldehyde
CID 28951043
2-(4-(trifluoromethyl)-1H-imidazol-1-yl)acetic acid
CID 89978138
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
1-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid
CID 83847412
Methyl 1-methyl-5-(trifluoromethyl)-1H-imidazole-2-carboxylate
CID 101876198
Methyl 1-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylate
CID 138984183
6-(1-Aminoethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-ol
CID 164946372

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide (CID 164965624) is N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide is Cc1nc(C(F)(F)F)cn1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide?
The InChIKey is CLCABMMRYPUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6-13-7(9(10,11)12)4-15(6)5-8(16)14(2)3/h4H,5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide?
N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide has a molecular weight of 235.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 164965624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).