6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C98H83F17N22O3S2 — CID 159595808

About 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 159595808) has the molecular formula C98H83F17N22O3S2 and a molecular weight of 2003.99 g/mol. Its IUPAC name is 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
• PubChem CID: 159595808
• Molecular Formula: C98H83F17N22O3S2
• Molecular Weight: 2003.99 g/mol
• Exact Mass: 2002.62
• IUPAC Name: 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
• SMILES: CCS(=O)(=O)n1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.CCc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCn1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.COc1ccc(Nc2cccc(-n3c(C)cc4ccccc43)n2)cc1.CSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
• InChI: InChI=1S/C21H14F6N4S.C21H19N3O.C20H14F5N5.C18H18F3N5O2S.C18H18F3N5/c1-32-14-10-15(18-19(21(25,26)27)30-17-4-2-3-9-31(17)18)29-16(11-14)28-13-7-5-12(6-8-13)20(22,23)24;1-15-14-16-6-3-4-7-19(16)24(15)21-9-5-8-20(23-21)22-17-10-12-18(25-2)13-11-17;1-2-18-28-15-7-13(21)14(22)8-16(15)30(18)19-10-26-9-17(29-19)27-12-5-3-11(4-6-12)20(23,24)25;1-4-29(27,28)26-12(3)17(11(2)25-26)15-9-22-10-16(24-15)23-14-7-5-13(6-8-14)18(19,20)21;1-4-26-12(3)17(11(2)25-26)15-9-22-10-16(24-15)23-14-7-5-13(6-8-14)18(19,20)21/h2-11H,1H3,(H,28,29);3-14H,1-2H3,(H,22,23);3-10H,2H2,1H3,(H,27,29);5-10H,4H2,1-3H3,(H,23,24);5-10H,4H2,1-3H3,(H,23,24)
• InChIKey: MKVAEDZCQALJHR-UHFFFAOYSA-N
• XLogP: 26.06
• TPSA: 282.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.99
LogP ≤ 5	26.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?

The IUPAC name of 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 159595808) is 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

What is the SMILES notation for 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?

The canonical SMILES for 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is CCS(=O)(=O)n1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.CCc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCn1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.COc1ccc(Nc2cccc(-n3c(C)cc4ccccc43)n2)cc1.CSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.

What is the InChIKey of 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?

The InChIKey is MKVAEDZCQALJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N4S.C21H19N3O.C20H14F5N5.C18H18F3N5O2S.C18H18F3N5/c1-32-14-10-15(18-19(21(25,26)27)30-17-4-2-3-9-31(17)18)29-16(11-14)28-13-7-5-12(6-8-13)20(22,23)24;1-15-14-16-6-3-4-7-19(16)24(15)21-9-5-8-20(23-21)22-17-10-12-18(25-2)13-11-17;1-2-18-28-15-7-13(21)14(22)8-16(15)30(18)19-10-26-9-17(29-19)27-12-5-3-11(4-6-12)20(23,24)25;1-4-29(27,28)26-12(3)17(11(2)25-26)15-9-22-10-16(24-15)23-14-7-5-13(6-8-14)18(19,20)21;1-4-26-12(3)17(11(2)25-26)15-9-22-10-16(24-15)23-14-7-5-13(6-8-14)18(19,20)21/h2-11H,1H3,(H,28,29);3-14H,1-2H3,(H,22,23);3-10H,2H2,1H3,(H,27,29);5-10H,4H2,1-3H3,(H,23,24);5-10H,4H2,1-3H3,(H,23,24).

What are the key properties of 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?

6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 2003.99 g/mol, XLogP of 26.06, 21 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 159595808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).