1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine

C27H27F5N8O — CID 175347238

About 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine

1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 175347238) has the molecular formula C27H27F5N8O and a molecular weight of 574.56 g/mol. Its IUPAC name is 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine
• PubChem CID: 175347238
• Molecular Formula: C27H27F5N8O
• Molecular Weight: 574.56 g/mol
• Exact Mass: 574.22
• IUPAC Name: 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine
• SMILES: FC(F)c1nc2ccccc2n1-c1nc(C2CNCCO2)nc(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)n1
• InChI: InChI=1S/C27H27F5N8O/c28-22(29)24-35-19-3-1-2-4-20(19)40(24)26-37-23(21-15-33-11-14-41-21)36-25(38-26)39-12-9-18(10-13-39)34-17-7-5-16(6-8-17)27(30,31)32/h1-8,18,21-22,33-34H,9-15H2
• InChIKey: ZWHGDSJAWRAWRZ-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 93.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.56
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine?

The IUPAC name of 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine (CID 175347238) is 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine.

What is the SMILES notation for 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine?

The canonical SMILES for 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine is FC(F)c1nc2ccccc2n1-c1nc(C2CNCCO2)nc(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)n1.

What is the InChIKey of 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine?

The InChIKey is ZWHGDSJAWRAWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F5N8O/c28-22(29)24-35-19-3-1-2-4-20(19)40(24)26-37-23(21-15-33-11-14-41-21)36-25(38-26)39-12-9-18(10-13-39)34-17-7-5-16(6-8-17)27(30,31)32/h1-8,18,21-22,33-34H,9-15H2.

What are the key properties of 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine?

1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 574.56 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 175347238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).