4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine

C22H21F3N8O — CID 58507933

IUPAC4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cc(-c2nc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2nc[nH]c2c1
InChIInChI=1S/C22H21F3N8O/c23-22(24,25)15-10-16(18-17(11-15)28-13-29-18)19-30-20(27-5-3-14-2-1-4-26-12-14)32-21(31-19)33-6-8-34-9-7-33/h1-2,4,10-13H,3,5-9H2,(H,28,29)(H,27,30,31,32)
InChIKeyIWVSJXDDWOVBGJ-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.32
Rot. Bonds6

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

4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine (PubChem CID 58507933) has the molecular formula C22H21F3N8O and a molecular weight of 470.46 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine
PubChem CID58507933
Molecular FormulaC22H21F3N8O
Molecular Weight470.46 g/mol
Exact Mass470.18
IUPAC Name4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cc(-c2nc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2nc[nH]c2c1
InChIInChI=1S/C22H21F3N8O/c23-22(24,25)15-10-16(18-17(11-15)28-13-29-18)19-30-20(27-5-3-14-2-1-4-26-12-14)32-21(31-19)33-6-8-34-9-7-33/h1-2,4,10-13H,3,5-9H2,(H,28,29)(H,27,30,31,32)
InChIKeyIWVSJXDDWOVBGJ-UHFFFAOYSA-N
XLogP3.32
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine (CID 58507933) is 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine is FC(F)(F)c1cc(-c2nc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2nc[nH]c2c1.
What is the InChIKey of 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine?
The InChIKey is IWVSJXDDWOVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8O/c23-22(24,25)15-10-16(18-17(11-15)28-13-29-18)19-30-20(27-5-3-14-2-1-4-26-12-14)32-21(31-19)33-6-8-34-9-7-33/h1-2,4,10-13H,3,5-9H2,(H,28,29)(H,27,30,31,32).
What are the key properties of 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine?
4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine has a molecular weight of 470.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58507933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).