N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol

C118H95F8N29O6 — CID 159219628

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol (PubChem CID 159219628) has the molecular formula C118H95F8N29O6 and a molecular weight of 2167.24 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol.

Molecular Properties

• Compound Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol
• PubChem CID: 159219628
• Molecular Formula: C118H95F8N29O6
• Molecular Weight: 2167.24 g/mol
• Exact Mass: 2165.79
• IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol
• SMILES: COc1ccc(Nc2cc(C#N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.COc1ccc(Nc2cc(N)cc(-n3c(C)nc4ccccc43)n2)cc1.COc1cccc(Nc2cncc(-n3c(C)nc4cc(F)c(F)cc43)n2)c1.Cc1ccc(Nc2cccc(-n3c(C)nc4ccccc43)n2)cc1.Cc1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)c(O)c1.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc3c(c2)OC(F)(F)O3)n1
• InChI: InChI=1S/C21H15F2N5O.C20H19N5O.C20H18N4.C19H11F4N5O2.C19H15F2N5O.C19H17N5O/c1-12-25-18-9-16(22)17(23)10-19(18)28(12)21-8-13(11-24)7-20(27-21)26-14-3-5-15(29-2)6-4-14;1-13-22-17-5-3-4-6-18(17)25(13)20-12-14(21)11-19(24-20)23-15-7-9-16(26-2)10-8-15;1-14-10-12-16(13-11-14)22-19-8-5-9-20(23-19)24-15(2)21-17-6-3-4-7-18(17)24;1-9-25-13-5-11(20)12(21)6-14(13)28(9)18-8-24-7-17(27-18)26-10-2-3-15-16(4-10)30-19(22,23)29-15;1-11-23-16-7-14(20)15(21)8-17(16)26(11)19-10-22-9-18(25-19)24-12-4-3-5-13(6-12)27-2;1-12-7-8-15(17(25)9-12)22-18-10-20-11-19(23-18)24-13(2)21-14-5-3-4-6-16(14)24/h3-10H,1-2H3,(H,26,27);3-12H,1-2H3,(H3,21,23,24);3-13H,1-2H3,(H,22,23);2-8H,1H3,(H,26,27);3-10H,1-2H3,(H,24,25);3-11,25H,1-2H3,(H,22,23)
• InChIKey: KRNDJIMVVVGFHD-UHFFFAOYSA-N
• XLogP: 25.98
• TPSA: 411.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.24
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol?

The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol (CID 159219628) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol.

What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol?

The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol is COc1ccc(Nc2cc(C#N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.COc1ccc(Nc2cc(N)cc(-n3c(C)nc4ccccc43)n2)cc1.COc1cccc(Nc2cncc(-n3c(C)nc4cc(F)c(F)cc43)n2)c1.Cc1ccc(Nc2cccc(-n3c(C)nc4ccccc43)n2)cc1.Cc1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)c(O)c1.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc3c(c2)OC(F)(F)O3)n1.

What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol?

The InChIKey is KRNDJIMVVVGFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O.C20H19N5O.C20H18N4.C19H11F4N5O2.C19H15F2N5O.C19H17N5O/c1-12-25-18-9-16(22)17(23)10-19(18)28(12)21-8-13(11-24)7-20(27-21)26-14-3-5-15(29-2)6-4-14;1-13-22-17-5-3-4-6-18(17)25(13)20-12-14(21)11-19(24-20)23-15-7-9-16(26-2)10-8-15;1-14-10-12-16(13-11-14)22-19-8-5-9-20(23-19)24-15(2)21-17-6-3-4-7-18(17)24;1-9-25-13-5-11(20)12(21)6-14(13)28(9)18-8-24-7-17(27-18)26-10-2-3-15-16(4-10)30-19(22,23)29-15;1-11-23-16-7-14(20)15(21)8-17(16)26(11)19-10-22-9-18(25-19)24-12-4-3-5-13(6-12)27-2;1-12-7-8-15(17(25)9-12)22-18-10-20-11-19(23-18)24-13(2)21-14-5-3-4-6-16(14)24/h3-10H,1-2H3,(H,26,27);3-12H,1-2H3,(H3,21,23,24);3-13H,1-2H3,(H,22,23);2-8H,1H3,(H,26,27);3-10H,1-2H3,(H,24,25);3-11,25H,1-2H3,(H,22,23).

What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol?

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol has a molecular weight of 2167.24 g/mol, XLogP of 25.98, 21 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;5-methyl-2-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenol is sourced from PubChem (CID 159219628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).