[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate

C15H11F3N4O3 — CID 123463550

IUPAC[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(OC=O)cn1
InChIInChI=1S/C15H11F3N4O3/c1-2-24-9-3-4-11-10(5-9)21-14(15(16,17)18)22(11)12-6-20-13(7-19-12)25-8-23/h3-8H,2H2,1H3
InChIKeyIYYISGNFEHHVIL-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.77
Rot. Bonds5

About [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate

[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate (PubChem CID 123463550) has the molecular formula C15H11F3N4O3 and a molecular weight of 352.27 g/mol. Its IUPAC name is [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate.

Molecular Properties

Compound Name[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate
PubChem CID123463550
Molecular FormulaC15H11F3N4O3
Molecular Weight352.27 g/mol
Exact Mass352.08
IUPAC Name[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(OC=O)cn1
InChIInChI=1S/C15H11F3N4O3/c1-2-24-9-3-4-11-10(5-9)21-14(15(16,17)18)22(11)12-6-20-13(7-19-12)25-8-23/h3-8H,2H2,1H3
InChIKeyIYYISGNFEHHVIL-UHFFFAOYSA-N
XLogP2.77
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate?
The IUPAC name of [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate (CID 123463550) is [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate.
What is the SMILES notation for [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate?
The canonical SMILES for [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate is CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(OC=O)cn1.
What is the InChIKey of [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate?
The InChIKey is IYYISGNFEHHVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3/c1-2-24-9-3-4-11-10(5-9)21-14(15(16,17)18)22(11)12-6-20-13(7-19-12)25-8-23/h3-8H,2H2,1H3.
What are the key properties of [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate?
[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate has a molecular weight of 352.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate is sourced from PubChem (CID 123463550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).