5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C99H76ClF21N30O2 — CID 158382683

About 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 158382683) has the molecular formula C99H76ClF21N30O2 and a molecular weight of 2152.32 g/mol. Its IUPAC name is 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
• PubChem CID: 158382683
• Molecular Formula: C99H76ClF21N30O2
• Molecular Weight: 2152.32 g/mol
• Exact Mass: 2150.61
• IUPAC Name: 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
• SMILES: CCc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.CCc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)c(Cl)c(Nc2ccc(C(F)(F)F)cc2)n1
• InChI: InChI=1S/2C20H15F5N6.2C20H16F4N6O.C19H14ClF3N6/c1-2-15-28-13-9-11(21)5-8-14(13)31(15)19-29-17(26)16(22)18(30-19)27-12-6-3-10(4-7-12)20(23,24)25;1-2-15-28-13-8-5-11(21)9-14(13)31(15)19-29-17(26)16(22)18(30-19)27-12-6-3-10(4-7-12)20(23,24)25;1-2-15-27-13-9-10(21)3-8-14(13)30(15)20-28-17(25)16(22)18(29-20)26-11-4-6-12(7-5-11)31-19(23)24;1-2-15-27-13-8-3-10(21)9-14(13)30(15)20-28-17(25)16(22)18(29-20)26-11-4-6-12(7-5-11)31-19(23)24;1-10-25-13-4-2-3-5-14(13)29(10)18-27-16(24)15(20)17(28-18)26-12-8-6-11(7-9-12)19(21,22)23/h2*3-9H,2H2,1H3,(H3,26,27,29,30);2*3-9,19H,2H2,1H3,(H3,25,26,28,29);2-9H,1H3,(H3,24,26,27,28)
• InChIKey: GVZIYROVCKRWBN-UHFFFAOYSA-N
• XLogP: 24.29
• TPSA: 426.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.32
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The IUPAC name of 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 158382683) is 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

What is the SMILES notation for 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The canonical SMILES for 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CCc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.CCc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)c(Cl)c(Nc2ccc(C(F)(F)F)cc2)n1.

What is the InChIKey of 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The InChIKey is GVZIYROVCKRWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15F5N6.2C20H16F4N6O.C19H14ClF3N6/c1-2-15-28-13-9-11(21)5-8-14(13)31(15)19-29-17(26)16(22)18(30-19)27-12-6-3-10(4-7-12)20(23,24)25;1-2-15-28-13-8-5-11(21)9-14(13)31(15)19-29-17(26)16(22)18(30-19)27-12-6-3-10(4-7-12)20(23,24)25;1-2-15-27-13-9-10(21)3-8-14(13)30(15)20-28-17(25)16(22)18(29-20)26-11-4-6-12(7-5-11)31-19(23)24;1-2-15-27-13-8-3-10(21)9-14(13)30(15)20-28-17(25)16(22)18(29-20)26-11-4-6-12(7-5-11)31-19(23)24;1-10-25-13-4-2-3-5-14(13)29(10)18-27-16(24)15(20)17(28-18)26-12-8-6-11(7-9-12)19(21,22)23/h2*3-9H,2H2,1H3,(H3,26,27,29,30);2*3-9,19H,2H2,1H3,(H3,25,26,28,29);2-9H,1H3,(H3,24,26,27,28).

What are the key properties of 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 2152.32 g/mol, XLogP of 24.29, 23 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 158382683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).