(2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole

C56H59BrN14O2 — CID 161360300

About (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole

(2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole (PubChem CID 161360300) has the molecular formula C56H59BrN14O2 and a molecular weight of 1040.09 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole.

Molecular Properties

• Compound Name: (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole
• PubChem CID: 161360300
• Molecular Formula: C56H59BrN14O2
• Molecular Weight: 1040.09 g/mol
• Exact Mass: 1038.41
• IUPAC Name: (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole
• SMILES: CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(Br)c4)[nH]c3c2)CC1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccn1
• InChI: InChI=1S/C28H29N7O.C20H22BrN5O.C8H8N2/c1-18-30-23-6-4-5-7-25(23)35(18)26-16-19(10-13-29-26)27(36)28-31-22-9-8-21(17-24(22)32-28)34-14-11-20(12-15-34)33(2)3;1-25(2)14-6-9-26(10-7-14)15-3-4-16-17(12-15)24-20(23-16)19(27)13-5-8-22-18(21)11-13;1-6-9-7-4-2-3-5-8(7)10-6/h4-10,13,16-17,20H,11-12,14-15H2,1-3H3,(H,31,32);3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,23,24);2-5H,1H3,(H,9,10)
• InChIKey: VPBUKCOBOYUXEL-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 176.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1040.09
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole?

The IUPAC name of (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole (CID 161360300) is (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole.

What is the SMILES notation for (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole?

The canonical SMILES for (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole is CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(Br)c4)[nH]c3c2)CC1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccn1.

What is the InChIKey of (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole?

The InChIKey is VPBUKCOBOYUXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O.C20H22BrN5O.C8H8N2/c1-18-30-23-6-4-5-7-25(23)35(18)26-16-19(10-13-29-26)27(36)28-31-22-9-8-21(17-24(22)32-28)34-14-11-20(12-15-34)33(2)3;1-25(2)14-6-9-26(10-7-14)15-3-4-16-17(12-15)24-20(23-16)19(27)13-5-8-22-18(21)11-13;1-6-9-7-4-2-3-5-8(7)10-6/h4-10,13,16-17,20H,11-12,14-15H2,1-3H3,(H,31,32);3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,23,24);2-5H,1H3,(H,9,10).

What are the key properties of (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole?

(2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole has a molecular weight of 1040.09 g/mol, XLogP of 9.72, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2-bromo-4-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2-methylbenzimidazol-1-yl)-4-pyridinyl]methanone;2-methyl-1H-benzimidazole is sourced from PubChem (CID 161360300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).