6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine

C141H129BrClFN56 — CID 157384219

About 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine

6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine (PubChem CID 157384219) has the molecular formula C141H129BrClFN56 and a molecular weight of 2742.33 g/mol. Its IUPAC name is 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
• PubChem CID: 157384219
• Molecular Formula: C141H129BrClFN56
• Molecular Weight: 2742.33 g/mol
• Exact Mass: 2739.07
• IUPAC Name: 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
• SMILES: CC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2cc(Cl)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2cc(F)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2nc(C3CC3)ccc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.Cc1cnnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C1(C)CCC1.Cc1ncn(-c2ccc(C#N)nc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C2(C)CCC2)n1
• InChI: InChI=1S/2C25H22N10.C25H25N9.C22H20BrN9.C22H20ClN9.C22H20FN9/c1-15-30-14-34(33-15)21-7-5-18(11-26)31-22(21)23-32-19-10-16(17-12-28-24(27)29-13-17)4-6-20(19)35(23)25(2)8-3-9-25;1-15-12-30-33-35(15)21-7-5-18(11-26)31-22(21)23-32-19-10-16(17-13-28-24(27)29-14-17)4-6-20(19)34(23)25(2)8-3-9-25;1-25(2,3)34-20-8-6-16(17-11-28-24(26)29-12-17)10-19(20)32-23(34)22-21(33-14-27-13-30-33)9-7-18(31-22)15-4-5-15;3*1-22(2,3)32-18-5-4-13(14-8-27-21(24)28-9-14)6-17(18)30-20(32)16-7-15(23)10-26-19(16)31-12-25-11-29-31/h2*4-7,10,12-14H,3,8-9H2,1-2H3,(H2,27,28,29);6-15H,4-5H2,1-3H3,(H2,26,28,29);3*4-12H,1-3H3,(H2,24,27,28)
• InChIKey: BLFVEGHEWCEXKK-UHFFFAOYSA-N
• XLogP: 23.92
• TPSA: 726.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 56
• Rotatable Bonds: 21
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2742.33
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine?

The IUPAC name of 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine (CID 157384219) is 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine.

What is the SMILES notation for 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine?

The canonical SMILES for 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine is CC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2cc(Cl)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2cc(F)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2nc(C3CC3)ccc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.Cc1cnnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C1(C)CCC1.Cc1ncn(-c2ccc(C#N)nc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C2(C)CCC2)n1.

What is the InChIKey of 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine?

The InChIKey is BLFVEGHEWCEXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22N10.C25H25N9.C22H20BrN9.C22H20ClN9.C22H20FN9/c1-15-30-14-34(33-15)21-7-5-18(11-26)31-22(21)23-32-19-10-16(17-12-28-24(27)29-13-17)4-6-20(19)35(23)25(2)8-3-9-25;1-15-12-30-33-35(15)21-7-5-18(11-26)31-22(21)23-32-19-10-16(17-13-28-24(27)29-14-17)4-6-20(19)34(23)25(2)8-3-9-25;1-25(2,3)34-20-8-6-16(17-11-28-24(26)29-12-17)10-19(20)32-23(34)22-21(33-14-27-13-30-33)9-7-18(31-22)15-4-5-15;3*1-22(2,3)32-18-5-4-13(14-8-27-21(24)28-9-14)6-17(18)30-20(32)16-7-15(23)10-26-19(16)31-12-25-11-29-31/h2*4-7,10,12-14H,3,8-9H2,1-2H3,(H2,27,28,29);6-15H,4-5H2,1-3H3,(H2,26,28,29);3*4-12H,1-3H3,(H2,24,27,28).

What are the key properties of 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine?

6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine has a molecular weight of 2742.33 g/mol, XLogP of 23.92, 21 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5-(5-methyltriazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-cyclopropyl-3-(1,2,4-triazol-1-yl)-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 157384219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).