tetrakis(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

C133H145F10N35O5 — CID 158520151

IUPACtetrakis(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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C29H29F2N7O.4C26H29F2N7O/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;4*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);4*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33)
InChIKeyHMCRVKVWBNERJK-UHFFFAOYSA-N
MW2503.84 g/mol
LogP24.48
Rot. Bonds35

About tetrakis(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

tetrakis(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 158520151) has the molecular formula C133H145F10N35O5 and a molecular weight of 2503.84 g/mol. Its IUPAC name is tetrakis(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 Nametetrakis(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 CID158520151
Molecular FormulaC133H145F10N35O5
Molecular Weight2503.84 g/mol
Exact Mass2502.20
IUPAC Nametetrakis(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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C29H29F2N7O.4C26H29F2N7O/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;4*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);4*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33)
InChIKeyHMCRVKVWBNERJK-UHFFFAOYSA-N
XLogP24.48
TPSA404.95 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002503.84
LogP ≤ 524.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze tetrakis(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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Launch Full Analysis

Related Compounds

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 66570906
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
CID 66570907
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571310
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
CID 66571374
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 66571702
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(morpholin-4-ylmethyl)-6-phenylphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 68388539
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]-N-[2-methyl-1-[2-[(1-methylpiperidin-4-yl)methyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 153512372
3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine
CID 157116100
CID 159079625
CID 159079625
1-(2-Ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole
CID 159098682
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]benzimidazol-3-ium;1,3-dimethyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazol-3-ium
CID 159162856

Frequently Asked Questions

What is the IUPAC name of tetrakis(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 tetrakis(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 158520151) is tetrakis(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 tetrakis(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 tetrakis(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.Cc1ccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.
What is the InChIKey of tetrakis(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 HMCRVKVWBNERJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N7O.4C26H29F2N7O/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;4*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);4*4-11,21H,12-16H2,1-3H3,(H,30,31,32,33).
What are the key properties of tetrakis(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?
tetrakis(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 2503.84 g/mol, XLogP of 24.48, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(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 158520151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).