(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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole

C72H82BrN21O3 — CID 157390238

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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole

(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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole (PubChem CID 157390238) has the molecular formula C72H82BrN21O3 and a molecular weight of 1369.50 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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole.

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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole
• PubChem CID: 157390238
• Molecular Formula: C72H82BrN21O3
• Molecular Weight: 1369.50 g/mol
• Exact Mass: 1367.61
• 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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole
• SMILES: CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(Br)c4)[nH]c3c2)CC1.Cc1cn(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)cn1.Cc1cnc[nH]1.Cc1cncn1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccn1
• InChI: InChI=1S/2C24H27N7O.C20H22BrN5O.C4H6N2/c1-16-14-25-15-31(16)22-12-17(6-9-26-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(2)3;1-16-14-31(15-26-16)22-12-17(6-9-25-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(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;1-4-2-5-3-6-4/h2*4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,28);3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,23,24);2-3H,1H3,(H,5,6)
• InChIKey: BLXOBHPHOCMMNI-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 259.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.50
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole?

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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole (CID 157390238) 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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole.

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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole?

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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole is CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(Br)c4)[nH]c3c2)CC1.Cc1cn(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)cn1.Cc1cnc[nH]1.Cc1cncn1-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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole?

The InChIKey is BLXOBHPHOCMMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27N7O.C20H22BrN5O.C4H6N2/c1-16-14-25-15-31(16)22-12-17(6-9-26-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(2)3;1-16-14-31(15-26-16)22-12-17(6-9-25-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(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;1-4-2-5-3-6-4/h2*4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,28);3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,23,24);2-3H,1H3,(H,5,6).

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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole?

(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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole has a molecular weight of 1369.50 g/mol, XLogP of 10.63, 14 rotatable bonds, 4 hydrogen bond donors, and 20 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-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone;5-methyl-1H-imidazole is sourced from PubChem (CID 157390238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).