6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine

C74H51Cl2F16N27O — CID 160897816

About 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine

6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 160897816) has the molecular formula C74H51Cl2F16N27O and a molecular weight of 1709.28 g/mol. Its IUPAC name is 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 160897816
• Molecular Formula: C74H51Cl2F16N27O
• Molecular Weight: 1709.28 g/mol
• Exact Mass: 1707.39
• IUPAC Name: 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine
• SMILES: Cc1nc2cc(Cl)ccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Fc1ccc2nc(C3CC3)n(-c3ncnc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Nc1nc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)n1
• InChI: InChI=1S/C20H14F4N6.2C18H13ClF3N7.C18H11F6N7O/c21-13-5-8-15-16(9-13)30(17(28-15)11-1-2-11)19-26-10-25-18(29-19)27-14-6-3-12(4-7-14)20(22,23)24;1-9-24-13-8-11(19)4-7-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;1-9-24-13-7-4-11(19)8-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;19-8-1-6-11-27-13(18(22,23)24)12(31(11)7-8)14-28-16(25)30-17(29-14)26-9-2-4-10(5-3-9)32-15(20)21/h3-11H,1-2H2,(H,25,26,27,29);2*2-8H,1H3,(H3,23,25,26,27,28);1-7,15H,(H3,25,26,28,29,30)
• InChIKey: SPCIZKGTDAUVSW-UHFFFAOYSA-N
• XLogP: 18.29
• TPSA: 360.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1709.28
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine (CID 160897816) is 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine is Cc1nc2cc(Cl)ccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Fc1ccc2nc(C3CC3)n(-c3ncnc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Nc1nc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)n1.

What is the InChIKey of 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?

The InChIKey is SPCIZKGTDAUVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N6.2C18H13ClF3N7.C18H11F6N7O/c21-13-5-8-15-16(9-13)30(17(28-15)11-1-2-11)19-26-10-25-18(29-19)27-14-6-3-12(4-7-14)20(22,23)24;1-9-24-13-8-11(19)4-7-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;1-9-24-13-7-4-11(19)8-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;19-8-1-6-11-27-13(18(22,23)24)12(31(11)7-8)14-28-16(25)30-17(29-14)26-9-2-4-10(5-3-9)32-15(20)21/h3-11H,1-2H2,(H,25,26,27,29);2*2-8H,1H3,(H3,23,25,26,27,28);1-7,15H,(H3,25,26,28,29,30).

What are the key properties of 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?

6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1709.28 g/mol, XLogP of 18.29, 15 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;4-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 160897816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).