6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine

C133H124BrN51 — CID 157282263

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

6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine (PubChem CID 157282263) has the molecular formula C133H124BrN51 and a molecular weight of 2516.72 g/mol. Its IUPAC name is 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[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-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
• PubChem CID: 157282263
• Molecular Formula: C133H124BrN51
• Molecular Weight: 2516.72 g/mol
• Exact Mass: 2514.05
• IUPAC Name: 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
• SMILES: CC(C)(C)n1c(-c2cccnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccnc(Br)c2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2nc(C#N)ccc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.Cc1ncn(-c2ccc(C#N)nc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ncnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
• InChI: InChI=1S/2C24H22N10.C23H20N10.C22H21N9.C20H19BrN6.C20H20N6/c1-14-29-13-33(32-14)20-8-6-17(10-25)30-21(20)22-31-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)34(22)24(2,3)4;1-14-29-13-30-34(14)20-8-6-17(10-25)31-21(20)22-32-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)33(22)24(2,3)4;1-23(2,3)33-18-6-4-14(15-10-27-22(25)28-11-15)8-17(18)31-21(33)20-19(32-13-26-12-29-32)7-5-16(9-24)30-20;1-22(2,3)31-18-7-6-14(15-10-26-21(23)27-11-15)9-17(18)29-20(31)16-5-4-8-25-19(16)30-13-24-12-28-30;1-20(2,3)27-16-5-4-12(14-10-24-19(22)25-11-14)8-15(16)26-18(27)13-6-7-23-17(21)9-13;1-20(2,3)26-17-5-4-14(15-11-23-19(21)24-12-15)10-16(17)25-18(26)13-6-8-22-9-7-13/h2*5-9,11-13H,1-4H3,(H2,26,27,28);4-8,10-13H,1-3H3,(H2,25,27,28);4-13H,1-3H3,(H2,23,26,27);4-11H,1-3H3,(H2,22,24,25);4-12H,1-3H3,(H2,21,23,24)
• InChIKey: AZUNUUWGXTUTON-UHFFFAOYSA-N
• XLogP: 22.67
• TPSA: 689.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 51
• Rotatable Bonds: 16
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2516.72
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[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-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine (CID 157282263) is 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[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-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[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-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine is CC(C)(C)n1c(-c2cccnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccnc(Br)c2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2nc(C#N)ccc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.Cc1ncn(-c2ccc(C#N)nc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ncnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.

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

The InChIKey is AZUNUUWGXTUTON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22N10.C23H20N10.C22H21N9.C20H19BrN6.C20H20N6/c1-14-29-13-33(32-14)20-8-6-17(10-25)30-21(20)22-31-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)34(22)24(2,3)4;1-14-29-13-30-34(14)20-8-6-17(10-25)31-21(20)22-32-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)33(22)24(2,3)4;1-23(2,3)33-18-6-4-14(15-10-27-22(25)28-11-15)8-17(18)31-21(33)20-19(32-13-26-12-29-32)7-5-16(9-24)30-20;1-22(2,3)31-18-7-6-14(15-10-26-21(23)27-11-15)9-17(18)29-20(31)16-5-4-8-25-19(16)30-13-24-12-28-30;1-20(2,3)27-16-5-4-12(14-10-24-19(22)25-11-14)8-15(16)26-18(27)13-6-7-23-17(21)9-13;1-20(2,3)26-17-5-4-14(15-11-23-19(21)24-12-15)10-16(17)25-18(26)13-6-8-22-9-7-13/h2*5-9,11-13H,1-4H3,(H2,26,27,28);4-8,10-13H,1-3H3,(H2,25,27,28);4-13H,1-3H3,(H2,23,26,27);4-11H,1-3H3,(H2,22,24,25);4-12H,1-3H3,(H2,21,23,24).

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

6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine has a molecular weight of 2516.72 g/mol, XLogP of 22.67, 16 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-(2-bromo-4-pyridinyl)-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-(1-tert-butyl-2-pyridin-4-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 157282263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).