6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C75H58ClF14N29O3 — CID 158592373

About 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 158592373) has the molecular formula C75H58ClF14N29O3 and a molecular weight of 1714.91 g/mol. Its IUPAC name is 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 158592373
• Molecular Formula: C75H58ClF14N29O3
• Molecular Weight: 1714.91 g/mol
• Exact Mass: 1713.47
• IUPAC Name: 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• SMILES: CCc1nc2cc(F)c(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CCc1nc2ncc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1nc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C3CC3)nc3cc(F)c(F)cc32)n1
• InChI: InChI=1S/C20H15F4N7O.C19H15F4N7O.C18H14ClF2N7O.C18H14F4N8/c21-12-7-14-15(8-13(12)22)31(16(27-14)9-1-2-9)20-29-18(25)28-19(30-20)26-10-3-5-11(6-4-10)32-17(23)24;1-2-15-26-13-7-11(20)12(21)8-14(13)30(15)19-28-17(24)27-18(29-19)25-9-3-5-10(6-4-9)31-16(22)23;1-9-23-13-7-2-10(19)8-14(13)28(9)18-26-16(22)25-17(27-18)24-11-3-5-12(6-4-11)29-15(20)21;1-2-13-26-14-12(7-10(19)8-24-14)30(13)17-28-15(23)27-16(29-17)25-11-5-3-9(4-6-11)18(20,21)22/h3-9,17H,1-2H2,(H3,25,26,28,29,30);3-8,16H,2H2,1H3,(H3,24,25,27,28,29);2-8,15H,1H3,(H3,22,24,25,26,27);3-8H,2H2,1H3,(H3,23,25,27,28,29)
• InChIKey: HUPHDHSTWWRWCO-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 418.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1714.91
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 158592373) is 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CCc1nc2cc(F)c(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CCc1nc2ncc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1nc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C3CC3)nc3cc(F)c(F)cc32)n1.

What is the InChIKey of 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is HUPHDHSTWWRWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N7O.C19H15F4N7O.C18H14ClF2N7O.C18H14F4N8/c21-12-7-14-15(8-13(12)22)31(16(27-14)9-1-2-9)20-29-18(25)28-19(30-20)26-10-3-5-11(6-4-10)32-17(23)24;1-2-15-26-13-7-11(20)12(21)8-14(13)30(15)19-28-17(24)27-18(29-19)25-9-3-5-10(6-4-9)31-16(22)23;1-9-23-13-7-2-10(19)8-14(13)28(9)18-26-16(22)25-17(27-18)24-11-3-5-12(6-4-11)29-15(20)21;1-2-13-26-14-12(7-10(19)8-24-14)30(13)17-28-15(23)27-16(29-17)25-11-5-3-9(4-6-11)18(20,21)22/h3-9,17H,1-2H2,(H3,25,26,28,29,30);3-8,16H,2H2,1H3,(H3,24,25,27,28,29);2-8,15H,1H3,(H3,22,24,25,26,27);3-8H,2H2,1H3,(H3,23,25,27,28,29).

What are the key properties of 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1714.91 g/mol, XLogP of 16.02, 21 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158592373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).