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

C25H25F4N7O — CID 66571194

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1c(F)cccc1F)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C25H25F4N7O/c1-25(2,14-15-16(26)6-5-7-17(15)27)34-22-31-23(35-10-12-37-13-11-35)33-24(32-22)36-19-9-4-3-8-18(19)30-21(36)20(28)29/h3-9,20H,10-14H2,1-2H3,(H,31,32,33,34)
InChIKeyZVVUTWCBLZDAMH-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.70
Rot. Bonds7

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

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 66571194) has the molecular formula C25H25F4N7O and a molecular weight of 515.52 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID66571194
Molecular FormulaC25H25F4N7O
Molecular Weight515.52 g/mol
Exact Mass515.21
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1c(F)cccc1F)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C25H25F4N7O/c1-25(2,14-15-16(26)6-5-7-17(15)27)34-22-31-23(35-10-12-37-13-11-35)33-24(32-22)36-19-9-4-3-8-18(19)30-21(36)20(28)29/h3-9,20H,10-14H2,1-2H3,(H,31,32,33,34)
InChIKeyZVVUTWCBLZDAMH-UHFFFAOYSA-N
XLogP4.70
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 66571194) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(C)(Cc1c(F)cccc1F)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is ZVVUTWCBLZDAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N7O/c1-25(2,14-15-16(26)6-5-7-17(15)27)34-22-31-23(35-10-12-37-13-11-35)33-24(32-22)36-19-9-4-3-8-18(19)30-21(36)20(28)29/h3-9,20H,10-14H2,1-2H3,(H,31,32,33,34).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 515.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66571194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).