6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile

C97H78F20N24O3 — CID 159588422

About 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile

6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile (PubChem CID 159588422) has the molecular formula C97H78F20N24O3 and a molecular weight of 2007.82 g/mol. Its IUPAC name is 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile
• PubChem CID: 159588422
• Molecular Formula: C97H78F20N24O3
• Molecular Weight: 2007.82 g/mol
• Exact Mass: 2006.64
• IUPAC Name: 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile
• SMILES: Cc1ccc(-c2c(C(F)(F)F)nc3ccccn23)nc1Nc1ccc(C(F)(F)F)cc1.Cc1nc2c(n1-c1cncc(Nc3ccc(C(F)(F)F)cc3)n1)CCCC2.Cc1nc2c(n1-c1cncc(Nc3ccc(OC(F)(F)F)cc3)n1)CCCC2.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nn(C)c(C)c1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1
• InChI: InChI=1S/C21H14F6N4.C19H12F5N5O.C19H18F3N5O.C19H16F3N5O.C19H18F3N5/c1-12-5-10-15(17-18(21(25,26)27)30-16-4-2-3-11-31(16)17)29-19(12)28-14-8-6-13(7-9-14)20(22,23)24;1-10-26-15-6-13(20)14(21)7-16(15)29(10)18-9-25-8-17(28-18)27-11-2-4-12(5-3-11)30-19(22,23)24;1-12-24-15-4-2-3-5-16(15)27(12)18-11-23-10-17(26-18)25-13-6-8-14(9-7-13)28-19(20,21)22;1-11-18(12(2)27(3)26-11)16-8-13(10-23)9-17(25-16)24-14-4-6-15(7-5-14)28-19(20,21)22;1-12-24-15-4-2-3-5-16(15)27(12)18-11-23-10-17(26-18)25-14-8-6-13(7-9-14)19(20,21)22/h2-11H,1H3,(H,28,29);2-9H,1H3,(H,27,28);6-11H,2-5H2,1H3,(H,25,26);4-9H,1-3H3,(H,24,25);6-11H,2-5H2,1H3,(H,25,26)
• InChIKey: MJXUUQXHCJUQPN-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 303.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2007.82
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile?

The IUPAC name of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile (CID 159588422) is 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile.

What is the SMILES notation for 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile?

The canonical SMILES for 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile is Cc1ccc(-c2c(C(F)(F)F)nc3ccccn23)nc1Nc1ccc(C(F)(F)F)cc1.Cc1nc2c(n1-c1cncc(Nc3ccc(C(F)(F)F)cc3)n1)CCCC2.Cc1nc2c(n1-c1cncc(Nc3ccc(OC(F)(F)F)cc3)n1)CCCC2.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nn(C)c(C)c1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1.

What is the InChIKey of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile?

The InChIKey is MJXUUQXHCJUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N4.C19H12F5N5O.C19H18F3N5O.C19H16F3N5O.C19H18F3N5/c1-12-5-10-15(17-18(21(25,26)27)30-16-4-2-3-11-31(16)17)29-19(12)28-14-8-6-13(7-9-14)20(22,23)24;1-10-26-15-6-13(20)14(21)7-16(15)29(10)18-9-25-8-17(28-18)27-11-2-4-12(5-3-11)30-19(22,23)24;1-12-24-15-4-2-3-5-16(15)27(12)18-11-23-10-17(26-18)25-13-6-8-14(9-7-13)28-19(20,21)22;1-11-18(12(2)27(3)26-11)16-8-13(10-23)9-17(25-16)24-14-4-6-15(7-5-14)28-19(20,21)22;1-12-24-15-4-2-3-5-16(15)27(12)18-11-23-10-17(26-18)25-14-8-6-13(7-9-14)19(20,21)22/h2-11H,1H3,(H,28,29);2-9H,1H3,(H,27,28);6-11H,2-5H2,1H3,(H,25,26);4-9H,1-3H3,(H,24,25);6-11H,2-5H2,1H3,(H,25,26).

What are the key properties of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile?

6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile has a molecular weight of 2007.82 g/mol, XLogP of 25.25, 18 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 159588422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).