N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine

C131H137F10N35O5 — CID 157322047

About N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine

N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine (PubChem CID 157322047) has the molecular formula C131H137F10N35O5 and a molecular weight of 2471.76 g/mol. Its IUPAC name is N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine
• PubChem CID: 157322047
• Molecular Formula: C131H137F10N35O5
• Molecular Weight: 2471.76 g/mol
• Exact Mass: 2470.14
• IUPAC Name: N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine
• SMILES: Cc1ccc(CC2(Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)CCCCC2)cc1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(c3ccccc3)CC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(c3ccccc3)CCCC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(c3ccccc3)CCCCC2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C29H33F2N7O.C27H29F2N7O.C26H27F2N7O.C25H25F2N7O.C24H23F2N7O/c1-20-9-11-21(12-10-20)19-29(13-5-2-6-14-29)36-26-33-27(37-15-17-39-18-16-37)35-28(34-26)38-23-8-4-3-7-22(23)32-25(38)24(30)31;28-22(29)23-30-20-11-5-6-12-21(20)36(23)26-32-24(31-25(33-26)35-15-17-37-18-16-35)34-27(13-7-2-8-14-27)19-9-3-1-4-10-19;27-21(28)22-29-19-10-4-5-11-20(19)35(22)25-31-23(30-24(32-25)34-14-16-36-17-15-34)33-26(12-6-7-13-26)18-8-2-1-3-9-18;26-20(27)21-28-18-8-4-5-9-19(18)34(21)24-30-22(29-23(31-24)33-12-14-35-15-13-33)32-25(10-11-25)16-17-6-2-1-3-7-17;25-19(26)20-27-17-8-4-5-9-18(17)33(20)23-29-21(28-22(30-23)32-12-14-34-15-13-32)31-24(10-11-24)16-6-2-1-3-7-16/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,33,34,35,36);1,3-6,9-12,22H,2,7-8,13-18H2,(H,31,32,33,34);1-5,8-11,21H,6-7,12-17H2,(H,30,31,32,33);1-9,20H,10-16H2,(H,29,30,31,32);1-9,19H,10-15H2,(H,28,29,30,31)
• InChIKey: BEGXXLPHLXEGLF-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 404.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.76
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine?

The IUPAC name of N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine (CID 157322047) is N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine.

What is the SMILES notation for N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine?

The canonical SMILES for N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine is Cc1ccc(CC2(Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)CCCCC2)cc1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(c3ccccc3)CC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(c3ccccc3)CCCC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(c3ccccc3)CCCCC2)nc(N2CCOCC2)n1.

What is the InChIKey of N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine?

The InChIKey is BEGXXLPHLXEGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O.C27H29F2N7O.C26H27F2N7O.C25H25F2N7O.C24H23F2N7O/c1-20-9-11-21(12-10-20)19-29(13-5-2-6-14-29)36-26-33-27(37-15-17-39-18-16-37)35-28(34-26)38-23-8-4-3-7-22(23)32-25(38)24(30)31;28-22(29)23-30-20-11-5-6-12-21(20)36(23)26-32-24(31-25(33-26)35-15-17-37-18-16-35)34-27(13-7-2-8-14-27)19-9-3-1-4-10-19;27-21(28)22-29-19-10-4-5-11-20(19)35(22)25-31-23(30-24(32-25)34-14-16-36-17-15-34)33-26(12-6-7-13-26)18-8-2-1-3-9-18;26-20(27)21-28-18-8-4-5-9-19(18)34(21)24-30-22(29-23(31-24)33-12-14-35-15-13-33)32-25(10-11-25)16-17-6-2-1-3-7-17;25-19(26)20-27-17-8-4-5-9-18(17)33(20)23-29-21(28-22(30-23)32-12-14-34-15-13-32)31-24(10-11-24)16-6-2-1-3-7-16/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,33,34,35,36);1,3-6,9-12,22H,2,7-8,13-18H2,(H,31,32,33,34);1-5,8-11,21H,6-7,12-17H2,(H,30,31,32,33);1-9,20H,10-16H2,(H,29,30,31,32);1-9,19H,10-15H2,(H,28,29,30,31).

What are the key properties of N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine?

N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine has a molecular weight of 2471.76 g/mol, XLogP of 24.03, 32 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(4-methylphenyl)methyl]cyclohexyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclohexyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopentyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylcyclopropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 157322047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).