4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one

C107H132Br2Cl2N28O9 — CID 160780323

About 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one

4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 160780323) has the molecular formula C107H132Br2Cl2N28O9 and a molecular weight of 2185.13 g/mol. Its IUPAC name is 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
• PubChem CID: 160780323
• Molecular Formula: C107H132Br2Cl2N28O9
• Molecular Weight: 2185.13 g/mol
• Exact Mass: 2180.85
• IUPAC Name: 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
• SMILES: COCC(=O)N1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Cl)cn5)cc[nH]c4=O)[nH]c3c2)CC1.COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Br)c(C)n5)cc[nH]c4=O)[nH]c3c2)CC1.COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Br)cn5)cc[nH]c4=O)[nH]c3c2)CC1.Cc1cc(C2CCN(CC(C)(C)O)CC2)cc2[nH]c(-c3c(NCCc4ncn(C)c4Cl)cc[nH]c3=O)nc12
• InChI: InChI=1S/C28H36ClN7O2.C27H34BrN7O2.C26H32BrN7O2.C26H30ClN7O3/c1-17-13-19(18-7-11-36(12-8-18)15-28(2,3)38)14-22-24(17)34-26(33-22)23-20(5-10-31-27(23)37)30-9-6-21-25(29)35(4)16-32-21;1-17-14-20(19-5-9-34(10-6-19)12-13-37-3)15-23-25(17)32-26(31-23)24-22(4-7-30-27(24)36)29-8-11-35-16-21(28)18(2)33-35;1-17-13-19(18-4-8-33(9-5-18)11-12-36-2)14-22-24(17)32-25(31-22)23-21(3-6-29-26(23)35)28-7-10-34-16-20(27)15-30-34;1-16-11-18(17-4-8-33(9-5-17)22(35)15-37-2)12-21-24(16)32-25(31-21)23-20(3-6-29-26(23)36)28-7-10-34-14-19(27)13-30-34/h5,10,13-14,16,18,38H,6-9,11-12,15H2,1-4H3,(H,33,34)(H2,30,31,37);4,7,14-16,19H,5-6,8-13H2,1-3H3,(H,31,32)(H2,29,30,36);3,6,13-16,18H,4-5,7-12H2,1-2H3,(H,31,32)(H2,28,29,35);3,6,11-14,17H,4-5,7-10,15H2,1-2H3,(H,31,32)(H2,28,29,36)
• InChIKey: SAMKZVLHWQITAJ-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 443.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.13
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?

The IUPAC name of 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 160780323) is 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

What is the SMILES notation for 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?

The canonical SMILES for 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one is COCC(=O)N1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Cl)cn5)cc[nH]c4=O)[nH]c3c2)CC1.COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Br)c(C)n5)cc[nH]c4=O)[nH]c3c2)CC1.COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Br)cn5)cc[nH]c4=O)[nH]c3c2)CC1.Cc1cc(C2CCN(CC(C)(C)O)CC2)cc2[nH]c(-c3c(NCCc4ncn(C)c4Cl)cc[nH]c3=O)nc12.

What is the InChIKey of 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?

The InChIKey is SAMKZVLHWQITAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN7O2.C27H34BrN7O2.C26H32BrN7O2.C26H30ClN7O3/c1-17-13-19(18-7-11-36(12-8-18)15-28(2,3)38)14-22-24(17)34-26(33-22)23-20(5-10-31-27(23)37)30-9-6-21-25(29)35(4)16-32-21;1-17-14-20(19-5-9-34(10-6-19)12-13-37-3)15-23-25(17)32-26(31-23)24-22(4-7-30-27(24)36)29-8-11-35-16-21(28)18(2)33-35;1-17-13-19(18-4-8-33(9-5-18)11-12-36-2)14-22-24(17)32-25(31-22)23-21(3-6-29-26(23)35)28-7-10-34-16-20(27)15-30-34;1-16-11-18(17-4-8-33(9-5-17)22(35)15-37-2)12-21-24(16)32-25(31-21)23-20(3-6-29-26(23)36)28-7-10-34-14-19(27)13-30-34/h5,10,13-14,16,18,38H,6-9,11-12,15H2,1-4H3,(H,33,34)(H2,30,31,37);4,7,14-16,19H,5-6,8-13H2,1-3H3,(H,31,32)(H2,29,30,36);3,6,13-16,18H,4-5,7-12H2,1-2H3,(H,31,32)(H2,28,29,35);3,6,11-14,17H,4-5,7-10,15H2,1-2H3,(H,31,32)(H2,28,29,36).

What are the key properties of 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?

4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 2185.13 g/mol, XLogP of 16.31, 34 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-bromo-3-methylpyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 160780323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).