2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C98H113N29O16S4 — CID 157488924

About 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 157488924) has the molecular formula C98H113N29O16S4 and a molecular weight of 2081.44 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 157488924
• Molecular Formula: C98H113N29O16S4
• Molecular Weight: 2081.44 g/mol
• Exact Mass: 2079.78
• IUPAC Name: 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: CN(C)CCOc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1.COCCOCCOc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1.COCCOc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1.Cn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccc(OCCO)cc21
• InChI: InChI=1S/C26H31N7O5S.C25H30N8O3S.C24H27N7O4S.C23H25N7O4S/c1-31-23-15-18(38-14-13-37-12-11-36-2)3-4-22(23)33(26(31)35)25-30-20(17-39-25)24(34)29-19-16-28-6-5-21(19)32-9-7-27-8-10-32;1-30(2)12-13-36-17-4-5-21-22(14-17)31(3)25(35)33(21)24-29-19(16-37-24)23(34)28-18-15-27-7-6-20(18)32-10-8-26-9-11-32;1-29-21-13-16(35-12-11-34-2)3-4-20(21)31(24(29)33)23-28-18(15-36-23)22(32)27-17-14-26-6-5-19(17)30-9-7-25-8-10-30;1-28-20-12-15(34-11-10-31)2-3-19(20)30(23(28)33)22-27-17(14-35-22)21(32)26-16-13-25-5-4-18(16)29-8-6-24-7-9-29/h3-6,15-17,27H,7-14H2,1-2H3,(H,29,34);4-7,14-16,26H,8-13H2,1-3H3,(H,28,34);3-6,13-15,25H,7-12H2,1-2H3,(H,27,32);2-5,12-14,24,31H,6-11H2,1H3,(H,26,32)
• InChIKey: BXARTVHQPKDUAV-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 476.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.44
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 157488924) is 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CN(C)CCOc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1.COCCOCCOc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1.COCCOc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1.Cn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccc(OCCO)cc21.

What is the InChIKey of 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is BXARTVHQPKDUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O5S.C25H30N8O3S.C24H27N7O4S.C23H25N7O4S/c1-31-23-15-18(38-14-13-37-12-11-36-2)3-4-22(23)33(26(31)35)25-30-20(17-39-25)24(34)29-19-16-28-6-5-21(19)32-9-7-27-8-10-32;1-30(2)12-13-36-17-4-5-21-22(14-17)31(3)25(35)33(21)24-29-19(16-37-24)23(34)28-18-15-27-7-6-20(18)32-10-8-26-9-11-32;1-29-21-13-16(35-12-11-34-2)3-4-20(21)31(24(29)33)23-28-18(15-36-23)22(32)27-17-14-26-6-5-19(17)30-9-7-25-8-10-30;1-28-20-12-15(34-11-10-31)2-3-19(20)30(23(28)33)22-27-17(14-35-22)21(32)26-16-13-25-5-4-18(16)29-8-6-24-7-9-29/h3-6,15-17,27H,7-14H2,1-2H3,(H,29,34);4-7,14-16,26H,8-13H2,1-3H3,(H,28,34);3-6,13-15,25H,7-12H2,1-2H3,(H,27,32);2-5,12-14,24,31H,6-11H2,1H3,(H,26,32).

What are the key properties of 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2081.44 g/mol, XLogP of 6.75, 34 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(dimethylamino)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-hydroxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[2-(2-methoxyethoxy)ethoxy]-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157488924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).