N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate

C127H129ClF11N35O7 — CID 157342423

About N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate

N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate (PubChem CID 157342423) has the molecular formula C127H129ClF11N35O7 and a molecular weight of 2502.10 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate.

Molecular Properties

• Compound Name: N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate
• PubChem CID: 157342423
• Molecular Formula: C127H129ClF11N35O7
• Molecular Weight: 2502.10 g/mol
• Exact Mass: 2500.03
• IUPAC Name: N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate
• SMILES: CC(C)(Cc1ccccc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1ccccc1Cl)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1ccccc1F)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc2ccccc2c1.COC(=O)[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1
• InChI: InChI=1S/C28H27F2N7O.C25H26ClF2N7O.C25H26F3N7O.C25H27F2N7O.C24H23F2N7O3/c1-28(2,20-12-11-18-7-3-4-8-19(18)17-20)35-25-32-26(36-13-15-38-16-14-36)34-27(33-25)37-22-10-6-5-9-21(22)31-24(37)23(29)30;2*1-25(2,15-16-7-3-4-8-17(16)26)33-22-30-23(34-11-13-36-14-12-34)32-24(31-22)35-19-10-6-5-9-18(19)29-21(35)20(27)28;1-25(2,16-17-8-4-3-5-9-17)32-22-29-23(33-12-14-35-15-13-33)31-24(30-22)34-19-11-7-6-10-18(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/h3-12,17,23H,13-16H2,1-2H3,(H,32,33,34,35);2*3-10,20H,11-15H2,1-2H3,(H,30,31,32,33);3-11,20H,12-16H2,1-2H3,(H,29,30,31,32);2-10,18-19H,11-14H2,1H3,(H,28,29,30,31)/t;;;;18-/m....0/s1
• InChIKey: BGOAUVMUWMTOCW-PFXFJQGWSA-N
• XLogP: 22.84
• TPSA: 431.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2502.10
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?

The IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate (CID 157342423) is N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-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 N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?

The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate is CC(C)(Cc1ccccc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1ccccc1Cl)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1ccccc1F)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc2ccccc2c1.COC(=O)[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.

What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?

The InChIKey is BGOAUVMUWMTOCW-PFXFJQGWSA-N. The full InChI is InChI=1S/C28H27F2N7O.C25H26ClF2N7O.C25H26F3N7O.C25H27F2N7O.C24H23F2N7O3/c1-28(2,20-12-11-18-7-3-4-8-19(18)17-20)35-25-32-26(36-13-15-38-16-14-36)34-27(33-25)37-22-10-6-5-9-21(22)31-24(37)23(29)30;2*1-25(2,15-16-7-3-4-8-17(16)26)33-22-30-23(34-11-13-36-14-12-34)32-24(31-22)35-19-10-6-5-9-18(19)29-21(35)20(27)28;1-25(2,16-17-8-4-3-5-9-17)32-22-29-23(33-12-14-35-15-13-33)31-24(30-22)34-19-11-7-6-10-18(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/h3-12,17,23H,13-16H2,1-2H3,(H,32,33,34,35);2*3-10,20H,11-15H2,1-2H3,(H,30,31,32,33);3-11,20H,12-16H2,1-2H3,(H,29,30,31,32);2-10,18-19H,11-14H2,1H3,(H,28,29,30,31)/t;;;;18-/m....0/s1.

What are the key properties of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?

N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-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 2502.10 g/mol, XLogP of 22.84, 34 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-phenylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methyl (2S)-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 157342423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).