6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole

C18H13F4N5 — CID 154320046

IUPAC6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole
SMILESCc1nc2ccc(F)cc2n1C1=CN(c2ccc(C(F)(F)F)cc2)NC=N1
InChIInChI=1S/C18H13F4N5/c1-11-25-15-7-4-13(19)8-16(15)27(11)17-9-26(24-10-23-17)14-5-2-12(3-6-14)18(20,21)22/h2-10H,1H3,(H,23,24)
InChIKeyFXUUYTVTQJRUMP-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.31
Rot. Bonds2

About 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole

6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole (PubChem CID 154320046) has the molecular formula C18H13F4N5 and a molecular weight of 375.33 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole
PubChem CID154320046
Molecular FormulaC18H13F4N5
Molecular Weight375.33 g/mol
Exact Mass375.11
IUPAC Name6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole
SMILESCc1nc2ccc(F)cc2n1C1=CN(c2ccc(C(F)(F)F)cc2)NC=N1
InChIInChI=1S/C18H13F4N5/c1-11-25-15-7-4-13(19)8-16(15)27(11)17-9-26(24-10-23-17)14-5-2-12(3-6-14)18(20,21)22/h2-10H,1H3,(H,23,24)
InChIKeyFXUUYTVTQJRUMP-UHFFFAOYSA-N
XLogP4.31
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole?
The IUPAC name of 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole (CID 154320046) is 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole.
What is the SMILES notation for 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole?
The canonical SMILES for 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole is Cc1nc2ccc(F)cc2n1C1=CN(c2ccc(C(F)(F)F)cc2)NC=N1.
What is the InChIKey of 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole?
The InChIKey is FXUUYTVTQJRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N5/c1-11-25-15-7-4-13(19)8-16(15)27(11)17-9-26(24-10-23-17)14-5-2-12(3-6-14)18(20,21)22/h2-10H,1H3,(H,23,24).
What are the key properties of 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole?
6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole has a molecular weight of 375.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole is sourced from PubChem (CID 154320046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).