2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

C29H28N6O4S — CID 167061754

About 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 167061754) has the molecular formula C29H28N6O4S and a molecular weight of 556.65 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 167061754
• Molecular Formula: C29H28N6O4S
• Molecular Weight: 556.65 g/mol
• Exact Mass: 556.19
• IUPAC Name: 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
• SMILES: CNC(=O)c1cnc(-n2c(C3CCCC(=O)N3c3ccc(OC)cc3)nc3cc(-c4c(C)noc4C)ccc32)s1
• InChI: InChI=1S/C29H28N6O4S/c1-16-26(17(2)39-33-16)18-8-13-22-21(14-18)32-27(35(22)29-31-15-24(40-29)28(37)30-3)23-6-5-7-25(36)34(23)19-9-11-20(38-4)12-10-19/h8-15,23H,5-7H2,1-4H3,(H,30,37)
• InChIKey: GJJGXVXCPYBMJC-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.65
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide (CID 167061754) is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(-n2c(C3CCCC(=O)N3c3ccc(OC)cc3)nc3cc(-c4c(C)noc4C)ccc32)s1.

What is the InChIKey of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is GJJGXVXCPYBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O4S/c1-16-26(17(2)39-33-16)18-8-13-22-21(14-18)32-27(35(22)29-31-15-24(40-29)28(37)30-3)23-6-5-7-25(36)34(23)19-9-11-20(38-4)12-10-19/h8-15,23H,5-7H2,1-4H3,(H,30,37).

What are the key properties of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 556.65 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167061754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).