5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide

C14H10F3N5O2 — CID 69439927

IUPAC5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3cnc(C(N)=O)cn3)c2c1
InChIInChI=1S/C14H10F3N5O2/c1-24-7-2-3-8-10(4-7)22(13(21-8)14(15,16)17)11-6-19-9(5-20-11)12(18)23/h2-6H,1H3,(H2,18,23)
InChIKeyBHFZIESCUFZMEX-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.94
Rot. Bonds3

About 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide

5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide (PubChem CID 69439927) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide
PubChem CID69439927
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3cnc(C(N)=O)cn3)c2c1
InChIInChI=1S/C14H10F3N5O2/c1-24-7-2-3-8-10(4-7)22(13(21-8)14(15,16)17)11-6-19-9(5-20-11)12(18)23/h2-6H,1H3,(H2,18,23)
InChIKeyBHFZIESCUFZMEX-UHFFFAOYSA-N
XLogP1.94
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide (CID 69439927) is 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide is COc1ccc2nc(C(F)(F)F)n(-c3cnc(C(N)=O)cn3)c2c1.
What is the InChIKey of 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide?
The InChIKey is BHFZIESCUFZMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c1-24-7-2-3-8-10(4-7)22(13(21-8)14(15,16)17)11-6-19-9(5-20-11)12(18)23/h2-6H,1H3,(H2,18,23).
What are the key properties of 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide?
5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 69439927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).