(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one

C50H54F4N10O4 — CID 159959132

About (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one

(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one (PubChem CID 159959132) has the molecular formula C50H54F4N10O4 and a molecular weight of 935.04 g/mol. Its IUPAC name is (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one.

Molecular Properties

• Compound Name: (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one
• PubChem CID: 159959132
• Molecular Formula: C50H54F4N10O4
• Molecular Weight: 935.04 g/mol
• Exact Mass: 934.43
• IUPAC Name: (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CCC(F)(F)CC1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1cncnc1)n2C1CCC(F)(F)CC1
• InChI: InChI=1S/C27H28F2N6O2.C23H26F2N4O2/c1-16-25(17(2)37-33-16)18-6-7-22-21(12-18)32-26(35(22)19-8-10-27(28,29)11-9-19)23-4-3-5-24(36)34(23)20-13-30-15-31-14-20;1-13-21(14(2)31-28-13)15-6-7-19-18(12-15)27-22(17-4-3-5-20(30)26-17)29(19)16-8-10-23(24,25)11-9-16/h6-7,12-15,19,23H,3-5,8-11H2,1-2H3;6-7,12,16-17H,3-5,8-11H2,1-2H3,(H,26,30)/t23-;17-/m00/s1
• InChIKey: ODCCSGVPTBPBMV-NBJNAHQXSA-N
• XLogP: 11.51
• TPSA: 162.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.04
LogP ≤ 5	11.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one (CID 159959132) is (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one.

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

The canonical SMILES for (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CCC(F)(F)CC1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1cncnc1)n2C1CCC(F)(F)CC1.

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

The InChIKey is ODCCSGVPTBPBMV-NBJNAHQXSA-N. The full InChI is InChI=1S/C27H28F2N6O2.C23H26F2N4O2/c1-16-25(17(2)37-33-16)18-6-7-22-21(12-18)32-26(35(22)19-8-10-27(28,29)11-9-19)23-4-3-5-24(36)34(23)20-13-30-15-31-14-20;1-13-21(14(2)31-28-13)15-6-7-19-18(12-15)27-22(17-4-3-5-20(30)26-17)29(19)16-8-10-23(24,25)11-9-16/h6-7,12-15,19,23H,3-5,8-11H2,1-2H3;6-7,12,16-17H,3-5,8-11H2,1-2H3,(H,26,30)/t23-;17-/m00/s1.

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

(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one has a molecular weight of 935.04 g/mol, XLogP of 11.51, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-pyrimidin-5-ylpiperidin-2-one is sourced from PubChem (CID 159959132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).