tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C107H116F8N28O4 — CID 157085322

IUPACtris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccc2ccccc2c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C29H29F2N7O.3C26H29F2N7O/c1-29(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;3*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/h3-12,17,24H,13-16,18H2,1-2H3,(H,33,34,35,36);3*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33)
InChIKeyAEADJQBIESEZEE-UHFFFAOYSA-N
MW2010.28 g/mol
LogP19.75
Rot. Bonds28

About tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 157085322) has the molecular formula C107H116F8N28O4 and a molecular weight of 2010.28 g/mol. Its IUPAC name is tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Nametris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID157085322
Molecular FormulaC107H116F8N28O4
Molecular Weight2010.28 g/mol
Exact Mass2008.96
IUPAC Nametris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccc2ccccc2c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C29H29F2N7O.3C26H29F2N7O/c1-29(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;3*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/h3-12,17,24H,13-16,18H2,1-2H3,(H,33,34,35,36);3*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33)
InChIKeyAEADJQBIESEZEE-UHFFFAOYSA-N
XLogP19.75
TPSA323.96 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002010.28
LogP ≤ 519.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570855
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571001
N-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-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-fluorophenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(3-methoxyphenyl)-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-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 167683410
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-piperidin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571372
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 70799536
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate
CID 158627695
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
CID 88980679
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
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
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)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-(2-methyl-4-pyridinyl)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-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 162008011
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)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-[3-(piperidin-1-ylmethyl)phenyl]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-piperidin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 157461691

Frequently Asked Questions

What is the IUPAC name of tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 157085322) is tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(C)(Cc1ccc2ccccc2c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.
What is the InChIKey of tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is AEADJQBIESEZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N7O.3C26H29F2N7O/c1-29(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;3*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/h3-12,17,24H,13-16,18H2,1-2H3,(H,33,34,35,36);3*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33).
What are the key properties of tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 2010.28 g/mol, XLogP of 19.75, 28 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tris(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-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 157085322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).