1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide

C32H41N5O2 — CID 67082094

About 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide

1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide (PubChem CID 67082094) has the molecular formula C32H41N5O2 and a molecular weight of 527.71 g/mol. Its IUPAC name is 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide
• PubChem CID: 67082094
• Molecular Formula: C32H41N5O2
• Molecular Weight: 527.71 g/mol
• Exact Mass: 527.33
• IUPAC Name: 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide
• SMILES: CC(=O)NC1(C(=O)N[C@@H](CCN2C3CCC2CC(n2c(C)nc4ccccc42)C3)c2ccccc2)CCCC1
• InChI: InChI=1S/C32H41N5O2/c1-22-33-29-12-6-7-13-30(29)37(22)27-20-25-14-15-26(21-27)36(25)19-16-28(24-10-4-3-5-11-24)34-31(39)32(35-23(2)38)17-8-9-18-32/h3-7,10-13,25-28H,8-9,14-21H2,1-2H3,(H,34,39)(H,35,38)/t25?,26?,27?,28-/m0/s1
• InChIKey: VSWFUDAWASMPSC-OYGGZRDRSA-N
• XLogP: 5.21
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.71
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide?

The IUPAC name of 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide (CID 67082094) is 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide is CC(=O)NC1(C(=O)N[C@@H](CCN2C3CCC2CC(n2c(C)nc4ccccc42)C3)c2ccccc2)CCCC1.

What is the InChIKey of 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide?

The InChIKey is VSWFUDAWASMPSC-OYGGZRDRSA-N. The full InChI is InChI=1S/C32H41N5O2/c1-22-33-29-12-6-7-13-30(29)37(22)27-20-25-14-15-26(21-27)36(25)19-16-28(24-10-4-3-5-11-24)34-31(39)32(35-23(2)38)17-8-9-18-32/h3-7,10-13,25-28H,8-9,14-21H2,1-2H3,(H,34,39)(H,35,38)/t25?,26?,27?,28-/m0/s1.

What are the key properties of 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide?

1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide has a molecular weight of 527.71 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetamido-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 67082094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).