1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole

C118H83Cl2F15N20O — CID 159072785

About 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole

1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole (PubChem CID 159072785) has the molecular formula C118H83Cl2F15N20O and a molecular weight of 2152.98 g/mol. Its IUPAC name is 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole.

Molecular Properties

• Compound Name: 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole
• PubChem CID: 159072785
• Molecular Formula: C118H83Cl2F15N20O
• Molecular Weight: 2152.98 g/mol
• Exact Mass: 2150.62
• IUPAC Name: 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole
• SMILES: COc1ccc(-c2c(C)ncnc2-n2cnc3cc(F)cc(F)c32)c(C)c1.Cc1cc(F)ccc1-c1c(-n2cnc3cc(F)cc(F)c32)ccnc1Cl.Cc1cc(F)ccc1-c1c(C)ccnc1-n1cnc2cc(F)cc(F)c21.Cc1cc(F)ccc1-c1c(C)ncnc1-n1cnc2cc(F)cc(F)c21.Cc1ccc(-c2c(C)cccc2-n2cnc3cc(F)cc(F)c32)c(Cl)c1.Cc1ccccc1-c1c(C)ncnc1-n1cnc2cc(F)cc(F)c21
• InChI: InChI=1S/C21H15ClF2N2.C20H14F3N3.C20H16F2N4O.C19H11ClF3N3.C19H13F3N4.C19H14F2N4/c1-12-6-7-15(16(22)8-12)20-13(2)4-3-5-19(20)26-11-25-18-10-14(23)9-17(24)21(18)26;1-11-5-6-24-20(18(11)15-4-3-13(21)7-12(15)2)26-10-25-17-9-14(22)8-16(23)19(17)26;1-11-6-14(27-3)4-5-15(11)18-12(2)23-9-24-20(18)26-10-25-17-8-13(21)7-16(22)19(17)26;1-10-6-11(21)2-3-13(10)17-16(4-5-24-19(17)20)26-9-25-15-8-12(22)7-14(23)18(15)26;1-10-5-12(20)3-4-14(10)17-11(2)23-8-24-19(17)26-9-25-16-7-13(21)6-15(22)18(16)26;1-11-5-3-4-6-14(11)17-12(2)22-9-23-19(17)25-10-24-16-8-13(20)7-15(21)18(16)25/h3-11H,1-2H3;3-10H,1-2H3;4-10H,1-3H3;2-9H,1H3;3-9H,1-2H3;3-10H,1-2H3
• InChIKey: JZWMRVPFPNEVQA-UHFFFAOYSA-N
• XLogP: 30.11
• TPSA: 219.27 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.98
LogP ≤ 5	30.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole?

The IUPAC name of 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole (CID 159072785) is 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole.

What is the SMILES notation for 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole?

The canonical SMILES for 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole is COc1ccc(-c2c(C)ncnc2-n2cnc3cc(F)cc(F)c32)c(C)c1.Cc1cc(F)ccc1-c1c(-n2cnc3cc(F)cc(F)c32)ccnc1Cl.Cc1cc(F)ccc1-c1c(C)ccnc1-n1cnc2cc(F)cc(F)c21.Cc1cc(F)ccc1-c1c(C)ncnc1-n1cnc2cc(F)cc(F)c21.Cc1ccc(-c2c(C)cccc2-n2cnc3cc(F)cc(F)c32)c(Cl)c1.Cc1ccccc1-c1c(C)ncnc1-n1cnc2cc(F)cc(F)c21.

What is the InChIKey of 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole?

The InChIKey is JZWMRVPFPNEVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2.C20H14F3N3.C20H16F2N4O.C19H11ClF3N3.C19H13F3N4.C19H14F2N4/c1-12-6-7-15(16(22)8-12)20-13(2)4-3-5-19(20)26-11-25-18-10-14(23)9-17(24)21(18)26;1-11-5-6-24-20(18(11)15-4-3-13(21)7-12(15)2)26-10-25-17-9-14(22)8-16(23)19(17)26;1-11-6-14(27-3)4-5-15(11)18-12(2)23-9-24-20(18)26-10-25-17-8-13(21)7-16(22)19(17)26;1-10-6-11(21)2-3-13(10)17-16(4-5-24-19(17)20)26-9-25-15-8-12(22)7-14(23)18(15)26;1-10-5-12(20)3-4-14(10)17-11(2)23-8-24-19(17)26-9-25-16-7-13(21)6-15(22)18(16)26;1-11-5-3-4-6-14(11)17-12(2)22-9-23-19(17)25-10-24-16-8-13(20)7-15(21)18(16)25/h3-11H,1-2H3;3-10H,1-2H3;4-10H,1-3H3;2-9H,1H3;3-9H,1-2H3;3-10H,1-2H3.

What are the key properties of 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole?

1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole has a molecular weight of 2152.98 g/mol, XLogP of 30.11, 13 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole is sourced from PubChem (CID 159072785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).