N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide

C8H10F3N3O — CID 591673

IUPACN-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
SMILESCC(=O)NCCc1[nH]cnc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(15)12-3-2-6-7(8(9,10)11)14-4-13-6/h4H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyRHXREGRDLJINNU-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.11
Rot. Bonds3

About N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide

N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide (PubChem CID 591673) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
PubChem CID591673
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
SMILESCC(=O)NCCc1[nH]cnc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(15)12-3-2-6-7(8(9,10)11)14-4-13-6/h4H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyRHXREGRDLJINNU-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide (CID 591673) is N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide is CC(=O)NCCc1[nH]cnc1C(F)(F)F.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide?
The InChIKey is RHXREGRDLJINNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(15)12-3-2-6-7(8(9,10)11)14-4-13-6/h4H,2-3H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide?
N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide has a molecular weight of 221.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 591673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).