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

C129H142BrF10N35O5 — CID 157448518

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

N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine) (PubChem CID 157448518) has the molecular formula C129H142BrF10N35O5 and a molecular weight of 2532.68 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine).

Molecular Properties

• Compound Name: N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine)
• PubChem CID: 157448518
• Molecular Formula: C129H142BrF10N35O5
• Molecular Weight: 2532.68 g/mol
• Exact Mass: 2530.10
• IUPAC Name: N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine)
• SMILES: CC(C)(Cc1ccccc1Br)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1cccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1.Cc1cccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1.Cc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
• InChI: InChI=1S/4C26H29F2N7O.C25H26BrF2N7O/c2*1-17-7-6-8-18(15-17)16-26(2,3)33-23-30-24(34-11-13-36-14-12-34)32-25(31-23)35-20-10-5-4-9-19(20)29-22(35)21(27)28;2*1-17-8-4-5-9-18(17)16-26(2,3)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-11-7-6-10-19(20)29-22(35)21(27)28;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/h2*4-10,15,21H,11-14,16H2,1-3H3,(H,30,31,32,33);2*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33);3-10,20H,11-15H2,1-2H3,(H,30,31,32,33)
• InChIKey: BSNAWDAZJMGSQU-UHFFFAOYSA-N
• XLogP: 24.09
• TPSA: 404.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2532.68
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine) (CID 157448518) is N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine).

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

The canonical SMILES for N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine) is CC(C)(Cc1ccccc1Br)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1cccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1.Cc1cccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1.Cc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.Cc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.

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

The InChIKey is BSNAWDAZJMGSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H29F2N7O.C25H26BrF2N7O/c2*1-17-7-6-8-18(15-17)16-26(2,3)33-23-30-24(34-11-13-36-14-12-34)32-25(31-23)35-20-10-5-4-9-19(20)29-22(35)21(27)28;2*1-17-8-4-5-9-18(17)16-26(2,3)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-11-7-6-10-19(20)29-22(35)21(27)28;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/h2*4-10,15,21H,11-14,16H2,1-3H3,(H,30,31,32,33);2*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33);3-10,20H,11-15H2,1-2H3,(H,30,31,32,33).

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

N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine) has a molecular weight of 2532.68 g/mol, XLogP of 24.09, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(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);bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine) is sourced from PubChem (CID 157448518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).