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

C140H159F10N35O5 — CID 159312668

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane
SMILESC.C.C.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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/2C29H29F2N7O.C27H31F2N7O.2C26H29F2N7O.3CH4/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(2,18-10-6-5-7-11-18)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;2*1-17-8-10-18(11-9-17)16-26(2,3)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-7-5-4-6-19(20)29-22(35)21(27)28;;;/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);5-13,21H,14-17H2,1-4H3,(H,31,32,33,34);2*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33);3*1H4
InChIKeyLCTAKTILRSZNIJ-UHFFFAOYSA-N
MW2602.03 g/mol
LogP27.66
Rot. Bonds35

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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane (PubChem CID 159312668) has the molecular formula C140H159F10N35O5 and a molecular weight of 2602.03 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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane
PubChem CID159312668
Molecular FormulaC140H159F10N35O5
Molecular Weight2602.03 g/mol
Exact Mass2600.31
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane
SMILESC.C.C.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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/2C29H29F2N7O.C27H31F2N7O.2C26H29F2N7O.3CH4/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(2,18-10-6-5-7-11-18)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;2*1-17-8-10-18(11-9-17)16-26(2,3)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-7-5-4-6-19(20)29-22(35)21(27)28;;;/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);5-13,21H,14-17H2,1-4H3,(H,31,32,33,34);2*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33);3*1H4
InChIKeyLCTAKTILRSZNIJ-UHFFFAOYSA-N
XLogP27.66
TPSA404.95 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002602.03
LogP ≤ 527.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane with MolForge

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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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane?
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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane (CID 159312668) 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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane.
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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane?
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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane is C.C.C.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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane?
The InChIKey is LCTAKTILRSZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H29F2N7O.C27H31F2N7O.2C26H29F2N7O.3CH4/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(2,18-10-6-5-7-11-18)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;2*1-17-8-10-18(11-9-17)16-26(2,3)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-7-5-4-6-19(20)29-22(35)21(27)28;;;/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);5-13,21H,14-17H2,1-4H3,(H,31,32,33,34);2*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33);3*1H4.
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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2,3-dimethyl-3-phenylbutan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane has a molecular weight of 2602.03 g/mol, XLogP of 27.66, 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;bis(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-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;methane is sourced from PubChem (CID 159312668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).