2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide

C37H43F2N5O — CID 91425323

About 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide

2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide (PubChem CID 91425323) has the molecular formula C37H43F2N5O and a molecular weight of 611.78 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide
• PubChem CID: 91425323
• Molecular Formula: C37H43F2N5O
• Molecular Weight: 611.78 g/mol
• Exact Mass: 611.34
• IUPAC Name: 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide
• SMILES: Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(C)(C(N)=O)c2ccc(F)cc2)CC1
• InChI: InChI=1S/C37H43F2N5O/c1-25-41-33-8-3-4-9-34(33)44(25)32-23-30-14-15-31(24-32)43(30)21-18-37(27-6-5-7-29(39)22-27)16-19-42(20-17-37)36(2,35(40)45)26-10-12-28(38)13-11-26/h3-13,22,30-32H,14-21,23-24H2,1-2H3,(H2,40,45)
• InChIKey: JSZIHYJVOHGGMD-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 67.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.78
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide?

The IUPAC name of 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide (CID 91425323) is 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide.

What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide?

The canonical SMILES for 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide is Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(C)(C(N)=O)c2ccc(F)cc2)CC1.

What is the InChIKey of 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide?

The InChIKey is JSZIHYJVOHGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43F2N5O/c1-25-41-33-8-3-4-9-34(33)44(25)32-23-30-14-15-31(24-32)43(30)21-18-37(27-6-5-7-29(39)22-27)16-19-42(20-17-37)36(2,35(40)45)26-10-12-28(38)13-11-26/h3-13,22,30-32H,14-21,23-24H2,1-2H3,(H2,40,45).

What are the key properties of 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide?

2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide has a molecular weight of 611.78 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 91425323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).