(6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one

C29H26F4N4O2 — CID 171414140

About (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one

(6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one (PubChem CID 171414140) has the molecular formula C29H26F4N4O2 and a molecular weight of 538.55 g/mol. Its IUPAC name is (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one.

Molecular Properties

• Compound Name: (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one
• PubChem CID: 171414140
• Molecular Formula: C29H26F4N4O2
• Molecular Weight: 538.55 g/mol
• Exact Mass: 538.20
• IUPAC Name: (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)nc([C@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CC2C(C1)C2(F)F
• InChI: InChI=1S/C29H26F4N4O2/c1-14-27(15(2)39-35-14)16-6-9-24-23(10-16)34-28(37(24)18-11-19-20(12-18)29(19,32)33)25-4-3-5-26(38)36(25)17-7-8-21(30)22(31)13-17/h6-10,13,18-20,25H,3-5,11-12H2,1-2H3/t18?,19?,20?,25-/m1/s1
• InChIKey: OISTZKLYQBJTIE-OFZJYCOJSA-N
• XLogP: 7.06
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.55
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one?

The IUPAC name of (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one (CID 171414140) is (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one.

What is the SMILES notation for (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one?

The canonical SMILES for (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc([C@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CC2C(C1)C2(F)F.

What is the InChIKey of (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one?

The InChIKey is OISTZKLYQBJTIE-OFZJYCOJSA-N. The full InChI is InChI=1S/C29H26F4N4O2/c1-14-27(15(2)39-35-14)16-6-9-24-23(10-16)34-28(37(24)18-11-19-20(12-18)29(19,32)33)25-4-3-5-26(38)36(25)17-7-8-21(30)22(31)13-17/h6-10,13,18-20,25H,3-5,11-12H2,1-2H3/t18?,19?,20?,25-/m1/s1.

What are the key properties of (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one?

(6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one has a molecular weight of 538.55 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one is sourced from PubChem (CID 171414140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).