4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane

C95H122F6N24O4S — CID 157133182

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane (PubChem CID 157133182) has the molecular formula C95H122F6N24O4S and a molecular weight of 1810.24 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane.

Molecular Properties

• Compound Name: 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane
• PubChem CID: 157133182
• Molecular Formula: C95H122F6N24O4S
• Molecular Weight: 1810.24 g/mol
• Exact Mass: 1808.97
• IUPAC Name: 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane
• SMILES: C.C.C=S(C)(=O)N1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.CC(C)(Cc1ccccc1C1CCNC1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CCN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
• InChI: InChI=1S/C32H40F2N8O2S.C32H40F2N8O.C29H34F2N8O.2CH4/c1-32(2,21-23-9-5-6-10-24(23)22-13-15-41(16-14-22)45(3,4)43)39-29-36-30(40-17-19-44-20-18-40)38-31(37-29)42-26-12-8-7-11-25(26)35-28(42)27(33)34;1-4-40-15-13-22(14-16-40)24-10-6-5-9-23(24)21-32(2,3)39-29-36-30(41-17-19-43-20-18-41)38-31(37-29)42-26-12-8-7-11-25(26)35-28(42)27(33)34;1-29(2,17-19-7-3-4-8-21(19)20-11-12-32-18-20)37-26-34-27(38-13-15-40-16-14-38)36-28(35-26)39-23-10-6-5-9-22(23)33-25(39)24(30)31;;/h5-12,22,27H,3,13-21H2,1-2,4H3,(H,36,37,38,39);5-12,22,27H,4,13-21H2,1-3H3,(H,36,37,38,39);3-10,20,24,32H,11-18H2,1-2H3,(H,34,35,36,37);2*1H4
• InChIKey: AJHRSVFDGBHIBV-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 278.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.24
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?

The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane (CID 157133182) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane.

What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?

The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane is C.C.C=S(C)(=O)N1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.CC(C)(Cc1ccccc1C1CCNC1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CCN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.

What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?

The InChIKey is AJHRSVFDGBHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2N8O2S.C32H40F2N8O.C29H34F2N8O.2CH4/c1-32(2,21-23-9-5-6-10-24(23)22-13-15-41(16-14-22)45(3,4)43)39-29-36-30(40-17-19-44-20-18-40)38-31(37-29)42-26-12-8-7-11-25(26)35-28(42)27(33)34;1-4-40-15-13-22(14-16-40)24-10-6-5-9-23(24)21-32(2,3)39-29-36-30(41-17-19-43-20-18-41)38-31(37-29)42-26-12-8-7-11-25(26)35-28(42)27(33)34;1-29(2,17-19-7-3-4-8-21(19)20-11-12-32-18-20)37-26-34-27(38-13-15-40-16-14-38)36-28(35-26)39-23-10-6-5-9-22(23)33-25(39)24(30)31;;/h5-12,22,27H,3,13-21H2,1-2,4H3,(H,36,37,38,39);5-12,22,27H,4,13-21H2,1-3H3,(H,36,37,38,39);3-10,20,24,32H,11-18H2,1-2H3,(H,34,35,36,37);2*1H4.

What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane has a molecular weight of 1810.24 g/mol, XLogP of 16.24, 26 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyrrolidin-3-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane is sourced from PubChem (CID 157133182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).