bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate

C98H102F8N28O6 — CID 161489312

About bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate

bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate (PubChem CID 161489312) has the molecular formula C98H102F8N28O6 and a molecular weight of 1920.07 g/mol. Its IUPAC name is bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate.

Molecular Properties

• Compound Name: bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate
• PubChem CID: 161489312
• Molecular Formula: C98H102F8N28O6
• Molecular Weight: 1920.07 g/mol
• Exact Mass: 1918.84
• IUPAC Name: bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate
• SMILES: CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.COC(=O)[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.Cc1ccc(C(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.Cc1ccc(C(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
• InChI: InChI=1S/2C25H27F2N7O.C24H23F2N7O3.C24H25F2N7O/c2*1-16-8-10-17(11-9-16)25(2,3)32-22-29-23(33-12-14-35-15-13-33)31-24(30-22)34-19-7-5-4-6-18(19)28-21(34)20(26)27;1-35-21(34)18(15-7-3-2-4-8-15)28-22-29-23(32-11-13-36-14-12-32)31-24(30-22)33-17-10-6-5-9-16(17)27-20(33)19(25)26;1-24(2,16-8-4-3-5-9-16)31-21-28-22(32-12-14-34-15-13-32)30-23(29-21)33-18-11-7-6-10-17(18)27-20(33)19(25)26/h2*4-11,20H,12-15H2,1-3H3,(H,29,30,31,32);2-10,18-19H,11-14H2,1H3,(H,28,29,30,31);3-11,19H,12-15H2,1-2H3,(H,28,29,30,31)/t;;18-;/m..1./s1
• InChIKey: WFJXLSIBGJRPDA-WGLOWRSCSA-N
• XLogP: 16.92
• TPSA: 350.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.07
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?

The IUPAC name of bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate (CID 161489312) is bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate.

What is the SMILES notation for bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?

The canonical SMILES for bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate is CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.COC(=O)[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.Cc1ccc(C(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.Cc1ccc(C(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.

What is the InChIKey of bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?

The InChIKey is WFJXLSIBGJRPDA-WGLOWRSCSA-N. The full InChI is InChI=1S/2C25H27F2N7O.C24H23F2N7O3.C24H25F2N7O/c2*1-16-8-10-17(11-9-16)25(2,3)32-22-29-23(33-12-14-35-15-13-33)31-24(30-22)34-19-7-5-4-6-18(19)28-21(34)20(26)27;1-35-21(34)18(15-7-3-2-4-8-15)28-22-29-23(32-11-13-36-14-12-32)31-24(30-22)33-17-10-6-5-9-16(17)27-20(33)19(25)26;1-24(2,16-8-4-3-5-9-16)31-21-28-22(32-12-14-34-15-13-32)30-23(29-21)33-18-11-7-6-10-17(18)27-20(33)19(25)26/h2*4-11,20H,12-15H2,1-3H3,(H,29,30,31,32);2-10,18-19H,11-14H2,1H3,(H,28,29,30,31);3-11,19H,12-15H2,1-2H3,(H,28,29,30,31)/t;;18-;/m..1./s1.

What are the key properties of bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?

bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate has a molecular weight of 1920.07 g/mol, XLogP of 16.92, 25 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-phenylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate is sourced from PubChem (CID 161489312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).