4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine

C137H145F10N35O5 — CID 159594941

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine (PubChem CID 159594941) has the molecular formula C137H145F10N35O5 and a molecular weight of 2551.89 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine
• PubChem CID: 159594941
• Molecular Formula: C137H145F10N35O5
• Molecular Weight: 2551.89 g/mol
• Exact Mass: 2550.20
• IUPAC Name: 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine
• SMILES: CC(C)(CNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC(C)(Cc1ccc2ccccc2c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1cccc2ccccc12)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)C(C)(C)c1ccccc1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)C1(c2ccccc2)CC1
• InChI: InChI=1S/2C29H29F2N7O.C27H29F2N7O.C27H31F2N7O.C25H27F2N7O/c1-29(2,18-20-10-7-9-19-8-3-4-11-21(19)20)36-26-33-27(37-14-16-39-17-15-37)35-28(34-26)38-23-13-6-5-12-22(23)32-25(38)24(30)31;1-29(2,18-19-11-12-20-7-3-4-8-21(20)17-19)36-26-33-27(37-13-15-39-16-14-37)35-28(34-26)38-23-10-6-5-9-22(23)32-25(38)24(30)31;1-26(2,27(12-13-27)18-8-4-3-5-9-18)34-23-31-24(35-14-16-37-17-15-35)33-25(32-23)36-20-11-7-6-10-19(20)30-22(36)21(28)29;1-26(2,18-10-6-5-7-11-18)27(3,4)34-23-31-24(35-14-16-37-17-15-35)33-25(32-23)36-20-13-9-8-12-19(20)30-22(36)21(28)29;1-25(2,17-8-4-3-5-9-17)16-28-22-30-23(33-12-14-35-15-13-33)32-24(31-22)34-19-11-7-6-10-18(19)29-21(34)20(26)27/h3-13,24H,14-18H2,1-2H3,(H,33,34,35,36);3-12,17,24H,13-16,18H2,1-2H3,(H,33,34,35,36);3-11,21H,12-17H2,1-2H3,(H,31,32,33,34);5-13,21H,14-17H2,1-4H3,(H,31,32,33,34);3-11,20H,12-16H2,1-2H3,(H,28,30,31,32)
• InChIKey: MKSGIHGBPVMJQO-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 404.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2551.89
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine (CID 159594941) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine is CC(C)(CNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC(C)(Cc1ccc2ccccc2c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1cccc2ccccc12)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)C(C)(C)c1ccccc1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)C1(c2ccccc2)CC1.

What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine?

The InChIKey is MKSGIHGBPVMJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H29F2N7O.C27H29F2N7O.C27H31F2N7O.C25H27F2N7O/c1-29(2,18-20-10-7-9-19-8-3-4-11-21(19)20)36-26-33-27(37-14-16-39-17-15-37)35-28(34-26)38-23-13-6-5-12-22(23)32-25(38)24(30)31;1-29(2,18-19-11-12-20-7-3-4-8-21(20)17-19)36-26-33-27(37-13-15-39-16-14-37)35-28(34-26)38-23-10-6-5-9-22(23)32-25(38)24(30)31;1-26(2,27(12-13-27)18-8-4-3-5-9-18)34-23-31-24(35-14-16-37-17-15-35)33-25(32-23)36-20-11-7-6-10-19(20)30-22(36)21(28)29;1-26(2,18-10-6-5-7-11-18)27(3,4)34-23-31-24(35-14-16-37-17-15-35)33-25(32-23)36-20-13-9-8-12-19(20)30-22(36)21(28)29;1-25(2,17-8-4-3-5-9-17)16-28-22-30-23(33-12-14-35-15-13-33)32-24(31-22)34-19-11-7-6-10-18(19)29-21(34)20(26)27/h3-13,24H,14-18H2,1-2H3,(H,33,34,35,36);3-12,17,24H,13-16,18H2,1-2H3,(H,33,34,35,36);3-11,21H,12-17H2,1-2H3,(H,31,32,33,34);5-13,21H,14-17H2,1-4H3,(H,31,32,33,34);3-11,20H,12-16H2,1-2H3,(H,28,30,31,32).

What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine?

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine has a molecular weight of 2551.89 g/mol, XLogP of 25.58, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-1-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;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;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 159594941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).