N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide

C8H10F3N3O — CID 57034232

IUPACN-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCc1ncc(CNC(=O)C(F)(F)F)[nH]1
InChIInChI=1S/C8H10F3N3O/c1-2-6-12-3-5(14-6)4-13-7(15)8(9,10)11/h3H,2,4H2,1H3,(H,12,14)(H,13,15)
InChIKeyMEOSBIPOLAZMEK-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.15
Rot. Bonds3

About N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide

N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 57034232) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID57034232
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCc1ncc(CNC(=O)C(F)(F)F)[nH]1
InChIInChI=1S/C8H10F3N3O/c1-2-6-12-3-5(14-6)4-13-7(15)8(9,10)11/h3H,2,4H2,1H3,(H,12,14)(H,13,15)
InChIKeyMEOSBIPOLAZMEK-UHFFFAOYSA-N
XLogP1.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide (CID 57034232) is N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide is CCc1ncc(CNC(=O)C(F)(F)F)[nH]1.
What is the InChIKey of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is MEOSBIPOLAZMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-6-12-3-5(14-6)4-13-7(15)8(9,10)11/h3H,2,4H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 221.18 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57034232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).