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

C131H144F8N30O6 — CID 157461691

IUPAC4-[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
SMILESCC(C)(Cc1ccccc1-c1cccc(CN2CCCCC2)c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1ccccc1C1CCNCC1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.COc1ccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.COc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1
InChIInChI=1S/C37H42F2N8O.2C32H33F2N7O2.C30H36F2N8O/c1-37(2,24-28-12-4-5-14-29(28)27-13-10-11-26(23-27)25-45-17-8-3-9-18-45)44-34-41-35(46-19-21-48-22-20-46)43-36(42-34)47-31-16-7-6-15-30(31)40-33(47)32(38)39;1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34;1-32(2,20-22-8-4-5-9-24(22)21-12-14-23(42-3)15-13-21)39-29-36-30(40-16-18-43-19-17-40)38-31(37-29)41-26-11-7-6-10-25(26)35-28(41)27(33)34;1-30(2,19-21-7-3-4-8-22(21)20-11-13-33-14-12-20)38-27-35-28(39-15-17-41-18-16-39)37-29(36-27)40-24-10-6-5-9-23(24)34-26(40)25(31)32/h4-7,10-16,23,32H,3,8-9,17-22,24-25H2,1-2H3,(H,41,42,43,44);4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39);4-15,27H,16-20H2,1-3H3,(H,36,37,38,39);3-10,20,25,33H,11-19H2,1-2H3,(H,35,36,37,38)
InChIKeyBTZRLOVWZMNYGP-UHFFFAOYSA-N
MW2386.78 g/mol
LogP24.14
Rot. Bonds36

About 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

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 (PubChem CID 157461691) has the molecular formula C131H144F8N30O6 and a molecular weight of 2386.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157461691
Molecular FormulaC131H144F8N30O6
Molecular Weight2386.78 g/mol
Exact Mass2385.18
IUPAC Name4-[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
SMILESCC(C)(Cc1ccccc1-c1cccc(CN2CCCCC2)c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1ccccc1C1CCNCC1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.COc1ccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.COc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1
InChIInChI=1S/C37H42F2N8O.2C32H33F2N7O2.C30H36F2N8O/c1-37(2,24-28-12-4-5-14-29(28)27-13-10-11-26(23-27)25-45-17-8-3-9-18-45)44-34-41-35(46-19-21-48-22-20-46)43-36(42-34)47-31-16-7-6-15-30(31)40-33(47)32(38)39;1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34;1-32(2,20-22-8-4-5-9-24(22)21-12-14-23(42-3)15-13-21)39-29-36-30(40-16-18-43-19-17-40)38-31(37-29)41-26-11-7-6-10-25(26)35-28(41)27(33)34;1-30(2,19-21-7-3-4-8-22(21)20-11-13-33-14-12-20)38-27-35-28(39-15-17-41-18-16-39)37-29(36-27)40-24-10-6-5-9-23(24)34-26(40)25(31)32/h4-7,10-16,23,32H,3,8-9,17-22,24-25H2,1-2H3,(H,41,42,43,44);4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39);4-15,27H,16-20H2,1-3H3,(H,36,37,38,39);3-10,20,25,33H,11-19H2,1-2H3,(H,35,36,37,38)
InChIKeyBTZRLOVWZMNYGP-UHFFFAOYSA-N
XLogP24.14
TPSA357.69 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.78
LogP ≤ 524.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(Cc1ccccc1-c1cccc(CN2CCCCC2)c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Cc1ccccc1C1CCNCC1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.COc1ccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.COc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1.
What is the InChIKey of 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?
The InChIKey is BTZRLOVWZMNYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42F2N8O.2C32H33F2N7O2.C30H36F2N8O/c1-37(2,24-28-12-4-5-14-29(28)27-13-10-11-26(23-27)25-45-17-8-3-9-18-45)44-34-41-35(46-19-21-48-22-20-46)43-36(42-34)47-31-16-7-6-15-30(31)40-33(47)32(38)39;1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34;1-32(2,20-22-8-4-5-9-24(22)21-12-14-23(42-3)15-13-21)39-29-36-30(40-16-18-43-19-17-40)38-31(37-29)41-26-11-7-6-10-25(26)35-28(41)27(33)34;1-30(2,19-21-7-3-4-8-22(21)20-11-13-33-14-12-20)38-27-35-28(39-15-17-41-18-16-39)37-29(36-27)40-24-10-6-5-9-23(24)34-26(40)25(31)32/h4-7,10-16,23,32H,3,8-9,17-22,24-25H2,1-2H3,(H,41,42,43,44);4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39);4-15,27H,16-20H2,1-3H3,(H,36,37,38,39);3-10,20,25,33H,11-19H2,1-2H3,(H,35,36,37,38).
What are the key properties of 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?
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 has a molecular weight of 2386.78 g/mol, XLogP of 24.14, 36 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157461691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).