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

C51H53F5N8O4 — CID 161487177

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

(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 161487177) has the molecular formula C51H53F5N8O4 and a molecular weight of 937.03 g/mol. Its IUPAC name is (5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 161487177
• Molecular Formula: C51H53F5N8O4
• Molecular Weight: 937.03 g/mol
• Exact Mass: 936.41
• IUPAC Name: (5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: Cc1ccc(N2C(=O)CC[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2C2CCC(F)(F)CC2)cc1F.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCC(=O)N1)n2C1CCC(F)(F)CC1
• InChI: InChI=1S/C29H29F3N4O2.C22H24F2N4O2/c1-16-4-6-21(15-22(16)30)35-25(8-9-26(35)37)28-33-23-14-19(27-17(2)34-38-18(27)3)5-7-24(23)36(28)20-10-12-29(31,32)13-11-20;1-12-20(13(2)30-27-12)14-3-5-18-17(11-14)26-21(16-4-6-19(29)25-16)28(18)15-7-9-22(23,24)10-8-15/h4-7,14-15,20,25H,8-13H2,1-3H3;3,5,11,15-16H,4,6-10H2,1-2H3,(H,25,29)/t25-;16-/m00/s1
• InChIKey: WFCXUKNMCAZMTD-FKEHLXFFSA-N
• XLogP: 12.38
• TPSA: 137.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.03
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one (CID 161487177) is (5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one.

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

The canonical SMILES for (5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(N2C(=O)CC[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2C2CCC(F)(F)CC2)cc1F.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCC(=O)N1)n2C1CCC(F)(F)CC1.

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

The InChIKey is WFCXUKNMCAZMTD-FKEHLXFFSA-N. The full InChI is InChI=1S/C29H29F3N4O2.C22H24F2N4O2/c1-16-4-6-21(15-22(16)30)35-25(8-9-26(35)37)28-33-23-14-19(27-17(2)34-38-18(27)3)5-7-24(23)36(28)20-10-12-29(31,32)13-11-20;1-12-20(13(2)30-27-12)14-3-5-18-17(11-14)26-21(16-4-6-19(29)25-16)28(18)15-7-9-22(23,24)10-8-15/h4-7,14-15,20,25H,8-13H2,1-3H3;3,5,11,15-16H,4,6-10H2,1-2H3,(H,25,29)/t25-;16-/m00/s1.

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

(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 937.03 g/mol, XLogP of 12.38, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one;(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 161487177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).