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

C26H27F3N8O — CID 175346633

IUPAC1-[4-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(NC2CCN(c3nc(C4CNCCO4)nc(-n4cnc5ccccc54)n3)CC2)cc1
InChIInChI=1S/C26H27F3N8O/c27-26(28,29)17-5-7-18(8-6-17)32-19-9-12-36(13-10-19)24-33-23(22-15-30-11-14-38-22)34-25(35-24)37-16-31-20-3-1-2-4-21(20)37/h1-8,16,19,22,30,32H,9-15H2
InChIKeyVVRLUCPCSPVZAV-UHFFFAOYSA-N
MW524.55 g/mol
LogP3.97
Rot. Bonds5

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

1-[4-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 175346633) has the molecular formula C26H27F3N8O and a molecular weight of 524.55 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID175346633
Molecular FormulaC26H27F3N8O
Molecular Weight524.55 g/mol
Exact Mass524.23
IUPAC Name1-[4-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(NC2CCN(c3nc(C4CNCCO4)nc(-n4cnc5ccccc54)n3)CC2)cc1
InChIInChI=1S/C26H27F3N8O/c27-26(28,29)17-5-7-18(8-6-17)32-19-9-12-36(13-10-19)24-33-23(22-15-30-11-14-38-22)34-25(35-24)37-16-31-20-3-1-2-4-21(20)37/h1-8,16,19,22,30,32H,9-15H2
InChIKeyVVRLUCPCSPVZAV-UHFFFAOYSA-N
XLogP3.97
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(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-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine (CID 175346633) is 1-[4-(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-(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-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine is FC(F)(F)c1ccc(NC2CCN(c3nc(C4CNCCO4)nc(-n4cnc5ccccc54)n3)CC2)cc1.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is VVRLUCPCSPVZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N8O/c27-26(28,29)17-5-7-18(8-6-17)32-19-9-12-36(13-10-19)24-33-23(22-15-30-11-14-38-22)34-25(35-24)37-16-31-20-3-1-2-4-21(20)37/h1-8,16,19,22,30,32H,9-15H2.
What are the key properties of 1-[4-(benzimidazol-1-yl)-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine?
1-[4-(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 524.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(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 175346633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).