6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one

C30H31N7O2S — CID 175514081

About 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one

6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one (PubChem CID 175514081) has the molecular formula C30H31N7O2S and a molecular weight of 553.69 g/mol. Its IUPAC name is 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one.

Molecular Properties

• Compound Name: 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one
• PubChem CID: 175514081
• Molecular Formula: C30H31N7O2S
• Molecular Weight: 553.69 g/mol
• Exact Mass: 553.23
• IUPAC Name: 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one
• SMILES: Cc1ncc(N2C(=O)CCCC2c2nc3cc(-c4c(C)noc4C)ccc3n2C2CCc3nc(C)sc3C2)cn1
• InChI: InChI=1S/C30H31N7O2S/c1-16-29(17(2)39-35-16)20-8-11-25-24(12-20)34-30(37(25)21-9-10-23-27(13-21)40-19(4)33-23)26-6-5-7-28(38)36(26)22-14-31-18(3)32-15-22/h8,11-12,14-15,21,26H,5-7,9-10,13H2,1-4H3
• InChIKey: RJIFSCBUOIBMQE-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 102.83 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.69
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one?

The IUPAC name of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one (CID 175514081) is 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one.

What is the SMILES notation for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one?

The canonical SMILES for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one is Cc1ncc(N2C(=O)CCCC2c2nc3cc(-c4c(C)noc4C)ccc3n2C2CCc3nc(C)sc3C2)cn1.

What is the InChIKey of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one?

The InChIKey is RJIFSCBUOIBMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2S/c1-16-29(17(2)39-35-16)20-8-11-25-24(12-20)34-30(37(25)21-9-10-23-27(13-21)40-19(4)33-23)26-6-5-7-28(38)36(26)22-14-31-18(3)32-15-22/h8,11-12,14-15,21,26H,5-7,9-10,13H2,1-4H3.

What are the key properties of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one?

6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one has a molecular weight of 553.69 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one is sourced from PubChem (CID 175514081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).