6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile

C101H69Cl2F22N25O2 — CID 159896590

About 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile

6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (PubChem CID 159896590) has the molecular formula C101H69Cl2F22N25O2 and a molecular weight of 2153.70 g/mol. Its IUPAC name is 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
• PubChem CID: 159896590
• Molecular Formula: C101H69Cl2F22N25O2
• Molecular Weight: 2153.70 g/mol
• Exact Mass: 2151.51
• IUPAC Name: 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
• SMILES: Cc1nc2cc(Cl)ccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3n2CCCC3)c1.N#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3n2CCCC3)c1
• InChI: InChI=1S/C21H15F6N5O.C21H16F5N5O.C21H12F5N5.2C19H13ClF3N5/c22-20(23,24)19-18(32-8-2-1-3-17(32)31-19)15-9-12(11-28)10-16(30-15)29-13-4-6-14(7-5-13)33-21(25,26)27;22-20(23)32-14-6-4-13(5-7-14)28-16-10-12(11-27)9-15(29-16)18-19(21(24,25)26)30-17-3-1-2-8-31(17)18;1-11-28-17-8-15(22)16(23)9-18(17)31(11)20-7-12(10-27)6-19(30-20)29-14-4-2-13(3-5-14)21(24,25)26;1-11-25-15-8-13(20)4-7-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23;1-11-25-15-7-4-13(20)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23/h4-7,9-10H,1-3,8H2,(H,29,30);4-7,9-10,20H,1-3,8H2,(H,28,29);2-9H,1H3,(H,29,30);2*2-10H,1H3,(H,26,27)
• InChIKey: NVKNEOLGQOMNLX-UHFFFAOYSA-N
• XLogP: 28.05
• TPSA: 329.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.70
LogP ≤ 5	28.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?

The IUPAC name of 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (CID 159896590) is 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.

What is the SMILES notation for 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?

The canonical SMILES for 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is Cc1nc2cc(Cl)ccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3n2CCCC3)c1.N#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3n2CCCC3)c1.

What is the InChIKey of 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?

The InChIKey is NVKNEOLGQOMNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N5O.C21H16F5N5O.C21H12F5N5.2C19H13ClF3N5/c22-20(23,24)19-18(32-8-2-1-3-17(32)31-19)15-9-12(11-28)10-16(30-15)29-13-4-6-14(7-5-13)33-21(25,26)27;22-20(23)32-14-6-4-13(5-7-14)28-16-10-12(11-27)9-15(29-16)18-19(21(24,25)26)30-17-3-1-2-8-31(17)18;1-11-28-17-8-15(22)16(23)9-18(17)31(11)20-7-12(10-27)6-19(30-20)29-14-4-2-13(3-5-14)21(24,25)26;1-11-25-15-8-13(20)4-7-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23;1-11-25-15-7-4-13(20)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23/h4-7,9-10H,1-3,8H2,(H,29,30);4-7,9-10,20H,1-3,8H2,(H,28,29);2-9H,1H3,(H,29,30);2*2-10H,1H3,(H,26,27).

What are the key properties of 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?

6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile has a molecular weight of 2153.70 g/mol, XLogP of 28.05, 18 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 159896590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).