(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one

C49H57FN8O4 — CID 159572290

About (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one

(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one (PubChem CID 159572290) has the molecular formula C49H57FN8O4 and a molecular weight of 841.04 g/mol. Its IUPAC name is (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one.

Molecular Properties

• Compound Name: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one
• PubChem CID: 159572290
• Molecular Formula: C49H57FN8O4
• Molecular Weight: 841.04 g/mol
• Exact Mass: 840.45
• IUPAC Name: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one
• SMILES: Cc1ccc(N2C(=O)CCC[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2CC(C)C)cc1F.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2CC(C)C
• InChI: InChI=1S/C28H31FN4O2.C21H26N4O2/c1-16(2)15-32-24-12-10-20(27-18(4)31-35-19(27)5)13-23(24)30-28(32)25-7-6-8-26(34)33(25)21-11-9-17(3)22(29)14-21;1-12(2)11-25-18-9-8-15(20-13(3)24-27-14(20)4)10-17(18)23-21(25)16-6-5-7-19(26)22-16/h9-14,16,25H,6-8,15H2,1-5H3;8-10,12,16H,5-7,11H2,1-4H3,(H,22,26)/t25-;16-/m00/s1
• InChIKey: MHYZFHUSHNGWHA-FKEHLXFFSA-N
• XLogP: 10.98
• TPSA: 137.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.04
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one?

The IUPAC name of (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one (CID 159572290) is (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one.

What is the SMILES notation for (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one?

The canonical SMILES for (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one is Cc1ccc(N2C(=O)CCC[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2CC(C)C)cc1F.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2CC(C)C.

What is the InChIKey of (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one?

The InChIKey is MHYZFHUSHNGWHA-FKEHLXFFSA-N. The full InChI is InChI=1S/C28H31FN4O2.C21H26N4O2/c1-16(2)15-32-24-12-10-20(27-18(4)31-35-19(27)5)13-23(24)30-28(32)25-7-6-8-26(34)33(25)21-11-9-17(3)22(29)14-21;1-12(2)11-25-18-9-8-15(20-13(3)24-27-14(20)4)10-17(18)23-21(25)16-6-5-7-19(26)22-16/h9-14,16,25H,6-8,15H2,1-5H3;8-10,12,16H,5-7,11H2,1-4H3,(H,22,26)/t25-;16-/m00/s1.

What are the key properties of (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one?

(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one has a molecular weight of 841.04 g/mol, XLogP of 10.98, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one is sourced from PubChem (CID 159572290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).