4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine

C117H119F10N35O5 — CID 160528643

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine

4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine (PubChem CID 160528643) has the molecular formula C117H119F10N35O5 and a molecular weight of 2285.46 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine
• PubChem CID: 160528643
• Molecular Formula: C117H119F10N35O5
• Molecular Weight: 2285.46 g/mol
• Exact Mass: 2284.00
• IUPAC Name: 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine
• SMILES: CC(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.C[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.C[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1
• InChI: InChI=1S/2C24H25F2N7O.3C23H23F2N7O/c2*1-2-17(16-8-4-3-5-9-16)28-22-29-23(32-12-14-34-15-13-32)31-24(30-22)33-19-11-7-6-10-18(19)27-21(33)20(25)26;3*1-15(16-7-3-2-4-8-16)26-21-28-22(31-11-13-33-14-12-31)30-23(29-21)32-18-10-6-5-9-17(18)27-20(32)19(24)25/h2*3-11,17,20H,2,12-15H2,1H3,(H,28,29,30,31);3*2-10,15,19H,11-14H2,1H3,(H,26,28,29,30)/t2*17-;2*15-;/m1010./s1
• InChIKey: QVFWOOWOYYCVLD-ZEQVEWOLSA-N
• XLogP: 21.57
• TPSA: 404.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.46
LogP ≤ 5	21.57
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]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine (CID 160528643) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine is CC(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.C[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.C[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.

What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine?

The InChIKey is QVFWOOWOYYCVLD-ZEQVEWOLSA-N. The full InChI is InChI=1S/2C24H25F2N7O.3C23H23F2N7O/c2*1-2-17(16-8-4-3-5-9-16)28-22-29-23(32-12-14-34-15-13-32)31-24(30-22)33-19-11-7-6-10-18(19)27-21(33)20(25)26;3*1-15(16-7-3-2-4-8-16)26-21-28-22(31-11-13-33-14-12-31)30-23(29-21)32-18-10-6-5-9-17(18)27-20(32)19(24)25/h2*3-11,17,20H,2,12-15H2,1H3,(H,28,29,30,31);3*2-10,15,19H,11-14H2,1H3,(H,26,28,29,30)/t2*17-;2*15-;/m1010./s1.

What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine?

4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine has a molecular weight of 2285.46 g/mol, XLogP of 21.57, 32 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]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 160528643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).