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-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane

C117H127F11N28O4 — CID 157050619

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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane
SMILESC.C.CC(C)(Cc1c(F)cccc1F)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c(F)c1.Cc1ccccc1-c1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1ccccc1-c1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/2C32H33F2N7O.C26H28F3N7O.C25H25F4N7O.2CH4/c2*1-21-10-4-6-12-23(21)24-13-7-5-11-22(24)20-32(2,3)39-29-36-30(40-16-18-42-19-17-40)38-31(37-29)41-26-15-9-8-14-25(26)35-28(41)27(33)34;1-16-8-9-17(18(27)14-16)15-26(2,3)34-23-31-24(35-10-12-37-13-11-35)33-25(32-23)36-20-7-5-4-6-19(20)30-22(36)21(28)29;1-25(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;;/h2*4-15,27H,16-20H2,1-3H3,(H,36,37,38,39);4-9,14,21H,10-13,15H2,1-3H3,(H,31,32,33,34);3-9,20H,10-14H2,1-2H3,(H,31,32,33,34);2*1H4
InChIKeyAADTVAZGAWNMAL-UHFFFAOYSA-N
MW2198.47 g/mol
LogP23.62
Rot. Bonds30

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-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane

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-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane (PubChem CID 157050619) has the molecular formula C117H127F11N28O4 and a molecular weight of 2198.47 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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane.

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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane
PubChem CID157050619
Molecular FormulaC117H127F11N28O4
Molecular Weight2198.47 g/mol
Exact Mass2197.04
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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane
SMILESC.C.CC(C)(Cc1c(F)cccc1F)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c(F)c1.Cc1ccccc1-c1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1ccccc1-c1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/2C32H33F2N7O.C26H28F3N7O.C25H25F4N7O.2CH4/c2*1-21-10-4-6-12-23(21)24-13-7-5-11-22(24)20-32(2,3)39-29-36-30(40-16-18-42-19-17-40)38-31(37-29)41-26-15-9-8-14-25(26)35-28(41)27(33)34;1-16-8-9-17(18(27)14-16)15-26(2,3)34-23-31-24(35-10-12-37-13-11-35)33-25(32-23)36-20-7-5-4-6-19(20)30-22(36)21(28)29;1-25(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;;/h2*4-15,27H,16-20H2,1-3H3,(H,36,37,38,39);4-9,14,21H,10-13,15H2,1-3H3,(H,31,32,33,34);3-9,20H,10-14H2,1-2H3,(H,31,32,33,34);2*1H4
InChIKeyAADTVAZGAWNMAL-UHFFFAOYSA-N
XLogP23.62
TPSA323.96 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.47
LogP ≤ 523.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 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-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane with MolForge

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Related Compounds

Zandelisib
CID 66571003
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570855
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570906
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571004
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylpyridin-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571131
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571190
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,4-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571193
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
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-fluorophenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571249
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571250
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-fluoro-3-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571252
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571309

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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane?
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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane (CID 157050619) 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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane.
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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane?
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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane is C.C.CC(C)(Cc1c(F)cccc1F)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c(F)c1.Cc1ccccc1-c1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1ccccc1-c1ccccc1CC(C)(C)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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane?
The InChIKey is AADTVAZGAWNMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H33F2N7O.C26H28F3N7O.C25H25F4N7O.2CH4/c2*1-21-10-4-6-12-23(21)24-13-7-5-11-22(24)20-32(2,3)39-29-36-30(40-16-18-42-19-17-40)38-31(37-29)41-26-15-9-8-14-25(26)35-28(41)27(33)34;1-16-8-9-17(18(27)14-16)15-26(2,3)34-23-31-24(35-10-12-37-13-11-35)33-25(32-23)36-20-7-5-4-6-19(20)30-22(36)21(28)29;1-25(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;;/h2*4-15,27H,16-20H2,1-3H3,(H,36,37,38,39);4-9,14,21H,10-13,15H2,1-3H3,(H,31,32,33,34);3-9,20H,10-14H2,1-2H3,(H,31,32,33,34);2*1H4.
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-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane?
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-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane has a molecular weight of 2198.47 g/mol, XLogP of 23.62, 30 rotatable bonds, 4 hydrogen bond donors, and 32 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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluoro-4-methylphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);methane is sourced from PubChem (CID 157050619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).