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

C91H90BrN31O2 — CID 158172224

About 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-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-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine (PubChem CID 158172224) has the molecular formula C91H90BrN31O2 and a molecular weight of 1729.84 g/mol. Its IUPAC name is 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-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-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
• PubChem CID: 158172224
• Molecular Formula: C91H90BrN31O2
• Molecular Weight: 1729.84 g/mol
• Exact Mass: 1727.71
• IUPAC Name: 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
• SMILES: CCC(=O)c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.CCC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.COc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(-n2cncn2)n1
• InChI: InChI=1S/C24H23N7O.C23H22BrN9.C23H23N9.C21H22N6O/c1-5-20(32)17-8-7-16(11-25)29-21(17)22-30-18-10-14(15-12-27-23(26)28-13-15)6-9-19(18)31(22)24(2,3)4;1-4-23(2,3)33-19-6-5-14(15-9-28-22(25)29-10-15)7-18(19)31-21(33)17-8-16(24)11-27-20(17)32-13-26-12-30-32;1-14-5-7-17(20(29-14)31-13-25-12-28-31)21-30-18-9-15(16-10-26-22(24)27-11-16)6-8-19(18)32(21)23(2,3)4;1-21(2,3)27-17-9-8-13(14-11-23-20(22)24-12-14)10-16(17)26-19(27)15-6-5-7-18(25-15)28-4/h6-10,12-13H,5H2,1-4H3,(H2,26,27,28);5-13H,4H2,1-3H3,(H2,25,28,29);5-13H,1-4H3,(H2,24,26,27);5-12H,1-4H3,(H2,22,23,24)
• InChIKey: FXOZWPMXCOWDTG-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 441.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1729.84
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-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-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine (CID 158172224) is 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-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-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-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-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine is CCC(=O)c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.CCC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.COc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(-n2cncn2)n1.

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

The InChIKey is FXOZWPMXCOWDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O.C23H22BrN9.C23H23N9.C21H22N6O/c1-5-20(32)17-8-7-16(11-25)29-21(17)22-30-18-10-14(15-12-27-23(26)28-13-15)6-9-19(18)31(22)24(2,3)4;1-4-23(2,3)33-19-6-5-14(15-9-28-22(25)29-10-15)7-18(19)31-21(33)17-8-16(24)11-27-20(17)32-13-26-12-30-32;1-14-5-7-17(20(29-14)31-13-25-12-28-31)21-30-18-9-15(16-10-26-22(24)27-11-16)6-8-19(18)32(21)23(2,3)4;1-21(2,3)27-17-9-8-13(14-11-23-20(22)24-12-14)10-16(17)26-19(27)15-6-5-7-18(25-15)28-4/h6-10,12-13H,5H2,1-4H3,(H2,26,27,28);5-13H,4H2,1-3H3,(H2,25,28,29);5-13H,1-4H3,(H2,24,26,27);5-12H,1-4H3,(H2,22,23,24).

What are the key properties of 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-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-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine has a molecular weight of 1729.84 g/mol, XLogP of 16.67, 15 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 158172224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).