4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate

C58H46F2N16O3 — CID 146432641

About 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate

4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate (PubChem CID 146432641) has the molecular formula C58H46F2N16O3 and a molecular weight of 1053.11 g/mol. Its IUPAC name is 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate.

Molecular Properties

• Compound Name: 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
• PubChem CID: 146432641
• Molecular Formula: C58H46F2N16O3
• Molecular Weight: 1053.11 g/mol
• Exact Mass: 1052.39
• IUPAC Name: 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
• SMILES: COC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccc(F)cc43)n2)cc1.COc1cccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)c1.Cc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(C#N)cc2)n1
• InChI: InChI=1S/C20H16FN5O2.C19H13FN6.C19H17N5O/c1-12-23-16-8-5-14(21)9-17(16)26(12)19-11-22-10-18(25-19)24-15-6-3-13(4-7-15)20(27)28-2;1-12-23-16-7-4-14(20)8-17(16)26(12)19-11-22-10-18(25-19)24-15-5-2-13(9-21)3-6-15;1-13-21-16-8-3-4-9-17(16)24(13)19-12-20-11-18(23-19)22-14-6-5-7-15(10-14)25-2/h3-11H,1-2H3,(H,24,25);2-8,10-11H,1H3,(H,24,25);3-12H,1-2H3,(H,22,23)
• InChIKey: PWBJCNXJQLEDIT-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 226.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.11
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate?

The IUPAC name of 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate (CID 146432641) is 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate.

What is the SMILES notation for 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate?

The canonical SMILES for 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccc(F)cc43)n2)cc1.COc1cccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)c1.Cc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(C#N)cc2)n1.

What is the InChIKey of 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate?

The InChIKey is PWBJCNXJQLEDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2.C19H13FN6.C19H17N5O/c1-12-23-16-8-5-14(21)9-17(16)26(12)19-11-22-10-18(25-19)24-15-6-3-13(4-7-15)20(27)28-2;1-12-23-16-7-4-14(20)8-17(16)26(12)19-11-22-10-18(25-19)24-15-5-2-13(9-21)3-6-15;1-13-21-16-8-3-4-9-17(16)24(13)19-12-20-11-18(23-19)22-14-6-5-7-15(10-14)25-2/h3-11H,1-2H3,(H,24,25);2-8,10-11H,1H3,(H,24,25);3-12H,1-2H3,(H,22,23).

What are the key properties of 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate?

4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate has a molecular weight of 1053.11 g/mol, XLogP of 11.55, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzonitrile;N-(3-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 146432641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).