2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C20H15FN6 — CID 118525799

IUPAC2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5cccc(F)c5)[nH]c4c3)nc12
InChIInChI=1S/C20H15FN6/c1-11-10-22-12(2)20-25-19(26-27(11)20)14-6-7-16-17(9-14)24-18(23-16)13-4-3-5-15(21)8-13/h3-10H,1-2H3,(H,23,24)
InChIKeyMGXFLBNALZOGMM-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.09
Rot. Bonds2

About 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 118525799) has the molecular formula C20H15FN6 and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID118525799
Molecular FormulaC20H15FN6
Molecular Weight358.38 g/mol
Exact Mass358.13
IUPAC Name2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5cccc(F)c5)[nH]c4c3)nc12
InChIInChI=1S/C20H15FN6/c1-11-10-22-12(2)20-25-19(26-27(11)20)14-6-7-16-17(9-14)24-18(23-16)13-4-3-5-15(21)8-13/h3-10H,1-2H3,(H,23,24)
InChIKeyMGXFLBNALZOGMM-UHFFFAOYSA-N
XLogP4.09
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 118525799) is 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(-c3ccc4nc(-c5cccc(F)c5)[nH]c4c3)nc12.
What is the InChIKey of 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is MGXFLBNALZOGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6/c1-11-10-22-12(2)20-25-19(26-27(11)20)14-6-7-16-17(9-14)24-18(23-16)13-4-3-5-15(21)8-13/h3-10H,1-2H3,(H,23,24).
What are the key properties of 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 358.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118525799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).