2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

C7H8F3N3O — CID 67130813

IUPAC2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1cnc(C(F)(F)F)c1
InChIInChI=1S/C7H8F3N3O/c1-4(6(11)14)13-2-5(12-3-13)7(8,9)10/h2-4H,1H3,(H2,11,14)
InChIKeyJKXWMPKJZRHXTC-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.95
Rot. Bonds2

About 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (PubChem CID 67130813) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
PubChem CID67130813
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1cnc(C(F)(F)F)c1
InChIInChI=1S/C7H8F3N3O/c1-4(6(11)14)13-2-5(12-3-13)7(8,9)10/h2-4H,1H3,(H2,11,14)
InChIKeyJKXWMPKJZRHXTC-UHFFFAOYSA-N
XLogP0.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065556
Imidazole-1-acetamide, 5-methyl-2-nitro-
CID 211787
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202
6-(1-Aminoethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-ol
CID 164946372
1-(2-methylpropyl)-5-(trifluoromethyl)-1H-imidazol-2-amine
CID 86775254
N-[(2S)-3,3-difluorobutan-2-yl]-3-methylimidazole-4-carboxamide
CID 129348592
N-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-4,4,4-trifluorobutanamide
CID 129614223
1-ethyl-4-(trifluoromethyl)-1H-imidazole
CID 12785670
1-ethyl-5-(trifluoromethyl)-1H-imidazole
CID 12785671
1H-Imidazole-2-carboxamide, 5-(trifluoromethyl)-
CID 45120707
2-(Trifluoromethyl)imidazo[1,2-a]pyrazin-8-ol
CID 71139060
1-Methyl-4-(trifluoromethyl)-1H-imidazole-2-carbaldehyde
CID 82410243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The IUPAC name of 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (CID 67130813) is 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The canonical SMILES for 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is CC(C(N)=O)n1cnc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The InChIKey is JKXWMPKJZRHXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4(6(11)14)13-2-5(12-3-13)7(8,9)10/h2-4H,1H3,(H2,11,14).
What are the key properties of 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
2-[4-(trifluoromethyl)imidazol-1-yl]propanamide has a molecular weight of 207.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 67130813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).