2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine

C74H58F7N29O2 — CID 161343979

About 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 161343979) has the molecular formula C74H58F7N29O2 and a molecular weight of 1518.46 g/mol. Its IUPAC name is 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 161343979
• Molecular Formula: C74H58F7N29O2
• Molecular Weight: 1518.46 g/mol
• Exact Mass: 1517.52
• IUPAC Name: 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
• SMILES: Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc3[nH]ccc3c2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc3occc3c2)n1
• InChI: InChI=1S/C19H16N8.C19H15N7O.C18H13F4N7.C18H14F3N7O/c1-11-22-15-4-2-3-5-16(15)27(11)19-25-17(20)24-18(26-19)23-13-6-7-14-12(10-13)8-9-21-14;1-11-21-14-4-2-3-5-15(14)26(11)19-24-17(20)23-18(25-19)22-13-6-7-16-12(10-13)8-9-27-16;1-9-24-13-4-2-3-5-14(13)29(9)17-27-15(23)26-16(28-17)25-10-6-7-11(12(19)8-10)18(20,21)22;1-9-23-12-4-2-3-5-13(12)28(9)18-26-16(22)25-17(27-18)24-10-6-7-14(11(19)8-10)29-15(20)21/h2-10,21H,1H3,(H3,20,23,24,25,26);2-10H,1H3,(H3,20,22,23,24,25);2-8H,1H3,(H3,23,25,26,27,28);2-8,15H,1H3,(H3,22,24,25,26,27)
• InChIKey: VNAZTWZHEVIGDU-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 416.32 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.46
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 161343979) is 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine is Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc3[nH]ccc3c2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc3occc3c2)n1.

What is the InChIKey of 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is VNAZTWZHEVIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8.C19H15N7O.C18H13F4N7.C18H14F3N7O/c1-11-22-15-4-2-3-5-16(15)27(11)19-25-17(20)24-18(26-19)23-13-6-7-14-12(10-13)8-9-21-14;1-11-21-14-4-2-3-5-15(14)26(11)19-24-17(20)23-18(25-19)22-13-6-7-16-12(10-13)8-9-27-16;1-9-24-13-4-2-3-5-14(13)29(9)17-27-15(23)26-16(28-17)25-10-6-7-11(12(19)8-10)18(20,21)22;1-9-23-12-4-2-3-5-13(12)28(9)18-26-16(22)25-17(27-18)24-10-6-7-14(11(19)8-10)29-15(20)21/h2-10,21H,1H3,(H3,20,23,24,25,26);2-10H,1H3,(H3,20,22,23,24,25);2-8H,1H3,(H3,23,25,26,27,28);2-8,15H,1H3,(H3,22,24,25,26,27).

What are the key properties of 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?

2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1518.46 g/mol, XLogP of 14.50, 14 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1-benzofuran-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1H-indol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 161343979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).