[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C35H43N5O2 — CID 58728054

About [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 58728054) has the molecular formula C35H43N5O2 and a molecular weight of 565.76 g/mol. Its IUPAC name is [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
• PubChem CID: 58728054
• Molecular Formula: C35H43N5O2
• Molecular Weight: 565.76 g/mol
• Exact Mass: 565.34
• IUPAC Name: [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
• SMILES: Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2cc(C(C)C)no2)CC1
• InChI: InChI=1S/C35H43N5O2/c1-24(2)31-23-33(42-37-31)34(41)38-18-15-35(16-19-38,26-9-5-4-6-10-26)17-20-39-27-13-14-28(39)22-29(21-27)40-25(3)36-30-11-7-8-12-32(30)40/h4-12,23-24,27-29H,13-22H2,1-3H3
• InChIKey: JSNGVFOZTMXREH-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 67.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.76
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The IUPAC name of [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 58728054) is [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

What is the SMILES notation for [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The canonical SMILES for [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2cc(C(C)C)no2)CC1.

What is the InChIKey of [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The InChIKey is JSNGVFOZTMXREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O2/c1-24(2)31-23-33(42-37-31)34(41)38-18-15-35(16-19-38,26-9-5-4-6-10-26)17-20-39-27-13-14-28(39)22-29(21-27)40-25(3)36-30-11-7-8-12-32(30)40/h4-12,23-24,27-29H,13-22H2,1-3H3.

What are the key properties of [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 565.76 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 58728054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).