N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide

C13H10F3N5O2 — CID 10215170

IUPACN-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide
SMILESCCn1c(-c2nonc2NC(=O)C(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H10F3N5O2/c1-2-21-8-6-4-3-5-7(8)17-11(21)9-10(20-23-19-9)18-12(22)13(14,15)16/h3-6H,2H2,1H3,(H,18,20,22)
InChIKeyLGXJGCZIHDEMDL-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.61
Rot. Bonds3

About N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide

N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 10215170) has the molecular formula C13H10F3N5O2 and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID10215170
Molecular FormulaC13H10F3N5O2
Molecular Weight325.25 g/mol
Exact Mass325.08
IUPAC NameN-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide
SMILESCCn1c(-c2nonc2NC(=O)C(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H10F3N5O2/c1-2-21-8-6-4-3-5-7(8)17-11(21)9-10(20-23-19-9)18-12(22)13(14,15)16/h3-6H,2H2,1H3,(H,18,20,22)
InChIKeyLGXJGCZIHDEMDL-UHFFFAOYSA-N
XLogP2.61
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide (CID 10215170) is N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide is CCn1c(-c2nonc2NC(=O)C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is LGXJGCZIHDEMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O2/c1-2-21-8-6-4-3-5-7(8)17-11(21)9-10(20-23-19-9)18-12(22)13(14,15)16/h3-6H,2H2,1H3,(H,18,20,22).
What are the key properties of N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide?
N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 325.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10215170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).