6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C121H84F26N36O3 — CID 158750306

About 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 158750306) has the molecular formula C121H84F26N36O3 and a molecular weight of 2584.20 g/mol. Its IUPAC name is 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 158750306
• Molecular Formula: C121H84F26N36O3
• Molecular Weight: 2584.20 g/mol
• Exact Mass: 2582.71
• IUPAC Name: 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• SMILES: CCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(C#N)nc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(-n2c(C3CC3)nc3cc(F)c(F)cc32)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C(F)F)nc3ccc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(-n2c(C(F)F)nc3ccccc32)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3ccc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)n1
• InChI: InChI=1S/C22H13F5N6.C21H17F3N6O.C20H11F5N6.C20H17F3N6O.C19H13F5N6O.C19H13F5N6/c23-15-8-17-18(9-16(15)24)33(20(31-17)11-1-2-11)19-7-14(10-28)30-21(32-19)29-13-5-3-12(4-6-13)22(25,26)27;22-12-3-8-15-16(9-12)30(19(27-15)11-1-2-11)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-10-27-16-7-14(21)15(22)8-17(16)31(10)18-6-13(9-26)29-19(30-18)28-12-4-2-11(3-5-12)20(23,24)25;1-2-17-26-14-8-3-11(21)9-15(14)29(17)18-10-16(24)27-20(28-18)25-12-4-6-13(7-5-12)30-19(22)23;20-9-1-6-12-13(7-9)30(17(27-12)16(21)22)15-8-14(25)28-19(29-15)26-10-2-4-11(5-3-10)31-18(23)24;20-16(21)17-27-12-3-1-2-4-13(12)30(17)15-9-14(25)28-18(29-15)26-11-7-5-10(6-8-11)19(22,23)24/h3-9,11H,1-2H2,(H,29,30,32);3-11,20H,1-2H2,(H3,25,26,28,29);2-8H,1H3,(H,28,29,30);3-10,19H,2H2,1H3,(H3,24,25,27,28);1-8,16,18H,(H3,25,26,28,29);1-9,16H,(H3,25,26,28,29)
• InChIKey: INJWGMGXKQMYDG-UHFFFAOYSA-N
• XLogP: 29.76
• TPSA: 513.13 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2584.20
LogP ≤ 5	29.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 158750306) is 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(C#N)nc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(-n2c(C3CC3)nc3cc(F)c(F)cc32)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C(F)F)nc3ccc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(-n2c(C(F)F)nc3ccccc32)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3ccc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)n1.

What is the InChIKey of 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The InChIKey is INJWGMGXKQMYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N6.C21H17F3N6O.C20H11F5N6.C20H17F3N6O.C19H13F5N6O.C19H13F5N6/c23-15-8-17-18(9-16(15)24)33(20(31-17)11-1-2-11)19-7-14(10-28)30-21(32-19)29-13-5-3-12(4-6-13)22(25,26)27;22-12-3-8-15-16(9-12)30(19(27-15)11-1-2-11)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-10-27-16-7-14(21)15(22)8-17(16)31(10)18-6-13(9-26)29-19(30-18)28-12-4-2-11(3-5-12)20(23,24)25;1-2-17-26-14-8-3-11(21)9-15(14)29(17)18-10-16(24)27-20(28-18)25-12-4-6-13(7-5-12)30-19(22)23;20-9-1-6-12-13(7-9)30(17(27-12)16(21)22)15-8-14(25)28-19(29-15)26-10-2-4-11(5-3-10)31-18(23)24;20-16(21)17-27-12-3-1-2-4-13(12)30(17)15-9-14(25)28-18(29-15)26-11-7-5-10(6-8-11)19(22,23)24/h3-9,11H,1-2H2,(H,29,30,32);3-11,20H,1-2H2,(H3,25,26,28,29);2-8H,1H3,(H,28,29,30);3-10,19H,2H2,1H3,(H3,24,25,27,28);1-8,16,18H,(H3,25,26,28,29);1-9,16H,(H3,25,26,28,29).

What are the key properties of 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2584.20 g/mol, XLogP of 29.76, 29 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158750306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).