4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C75H52ClF16N25O4 — CID 160730739

About 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 160730739) has the molecular formula C75H52ClF16N25O4 and a molecular weight of 1706.83 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
• PubChem CID: 160730739
• Molecular Formula: C75H52ClF16N25O4
• Molecular Weight: 1706.83 g/mol
• Exact Mass: 1705.41
• IUPAC Name: 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
• SMILES: Cc1nc2c(F)cc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1.Cc1nc2c(F)cc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccc([N+](=O)[O-])cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1
• InChI: InChI=1S/C19H12F6N6O.C19H13F4N7O2.C19H15F3N6O.C18H12ClF3N6/c1-8-27-15-12(21)6-9(20)7-13(15)31(8)18-29-16(26)14(22)17(30-18)28-10-2-4-11(5-3-10)32-19(23,24)25;1-9-25-13-7-6-12(30(31)32)8-14(13)29(9)18-27-16(24)15(20)17(28-18)26-11-4-2-10(3-5-11)19(21,22)23;1-10-24-13-4-2-3-5-14(13)28(10)19-26-16(23)9-17(27-19)25-11-6-7-15(12(20)8-11)29-18(21)22;1-8-24-15-12(21)6-10(20)7-13(15)28(8)18-26-16(23)14(22)17(27-18)25-11-4-2-9(19)3-5-11/h2-7H,1H3,(H3,26,28,29,30);2-8H,1H3,(H3,24,26,27,28);2-9,18H,1H3,(H3,23,25,26,27);2-7H,1H3,(H3,23,25,26,27)
• InChIKey: YMLPQBAUNKXUBT-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 388.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1706.83
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The IUPAC name of 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 160730739) is 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

What is the SMILES notation for 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The canonical SMILES for 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is Cc1nc2c(F)cc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1.Cc1nc2c(F)cc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccc([N+](=O)[O-])cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.

What is the InChIKey of 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The InChIKey is YMLPQBAUNKXUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N6O.C19H13F4N7O2.C19H15F3N6O.C18H12ClF3N6/c1-8-27-15-12(21)6-9(20)7-13(15)31(8)18-29-16(26)14(22)17(30-18)28-10-2-4-11(5-3-10)32-19(23,24)25;1-9-25-13-7-6-12(30(31)32)8-14(13)29(9)18-27-16(24)15(20)17(28-18)26-11-4-2-10(3-5-11)19(21,22)23;1-10-24-13-4-2-3-5-14(13)28(10)19-26-16(23)9-17(27-19)25-11-6-7-15(12(20)8-11)29-18(21)22;1-8-24-15-12(21)6-10(20)7-13(15)28(8)18-26-16(23)14(22)17(27-18)25-11-4-2-9(19)3-5-11/h2-7H,1H3,(H3,26,28,29,30);2-8H,1H3,(H3,24,26,27,28);2-9,18H,1H3,(H3,23,25,26,27);2-7H,1H3,(H3,23,25,26,27).

What are the key properties of 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 1706.83 g/mol, XLogP of 17.99, 16 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 160730739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).