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

C27H30F2N8O2 — CID 175070982

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

1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)piperidin-4-amine (PubChem CID 175070982) has the molecular formula C27H30F2N8O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)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-(2-methoxyphenyl)piperidin-4-amine
• PubChem CID: 175070982
• Molecular Formula: C27H30F2N8O2
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.25
• IUPAC Name: 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)piperidin-4-amine
• SMILES: COc1ccccc1NC1CCN(c2nc(C3CNCCO3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
• InChI: InChI=1S/C27H30F2N8O2/c1-38-21-9-5-3-7-19(21)31-17-10-13-36(14-11-17)26-33-24(22-16-30-12-15-39-22)34-27(35-26)37-20-8-4-2-6-18(20)32-25(37)23(28)29/h2-9,17,22-23,30-31H,10-16H2,1H3
• InChIKey: TUUSFUABWGVPGV-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 102.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-(2-methoxyphenyl)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-(2-methoxyphenyl)piperidin-4-amine (CID 175070982) is 1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)piperidin-4-amine is COc1ccccc1NC1CCN(c2nc(C3CNCCO3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.

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

The InChIKey is TUUSFUABWGVPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N8O2/c1-38-21-9-5-3-7-19(21)31-17-10-13-36(14-11-17)26-33-24(22-16-30-12-15-39-22)34-27(35-26)37-20-8-4-2-6-18(20)32-25(37)23(28)29/h2-9,17,22-23,30-31H,10-16H2,1H3.

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

1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)piperidin-4-amine has a molecular weight of 536.59 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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-(2-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 175070982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).