1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

C21H24F2N8O2 — CID 11955205

IUPAC1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
InChIInChI=1S/C21H24F2N8O2/c1-14(32)28-6-8-29(9-7-28)19-25-20(30-10-12-33-13-11-30)27-21(26-19)31-16-5-3-2-4-15(16)24-18(31)17(22)23/h2-5,17H,6-13H2,1H3
InChIKeyCFTQLFMYQDWTPI-UHFFFAOYSA-N
MW458.47 g/mol
LogP1.65
Rot. Bonds4

About 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 11955205) has the molecular formula C21H24F2N8O2 and a molecular weight of 458.47 g/mol. Its IUPAC name is 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID11955205
Molecular FormulaC21H24F2N8O2
Molecular Weight458.47 g/mol
Exact Mass458.20
IUPAC Name1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
InChIInChI=1S/C21H24F2N8O2/c1-14(32)28-6-8-29(9-7-28)19-25-20(30-10-12-33-13-11-30)27-21(26-19)31-16-5-3-2-4-15(16)24-18(31)17(22)23/h2-5,17H,6-13H2,1H3
InChIKeyCFTQLFMYQDWTPI-UHFFFAOYSA-N
XLogP1.65
TPSA92.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 11955205) is 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.
What is the InChIKey of 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is CFTQLFMYQDWTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N8O2/c1-14(32)28-6-8-29(9-7-28)19-25-20(30-10-12-33-13-11-30)27-21(26-19)31-16-5-3-2-4-15(16)24-18(31)17(22)23/h2-5,17H,6-13H2,1H3.
What are the key properties of 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 458.47 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 11955205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).