2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone

C48H54N8O2S2 — CID 76532667

About 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone

2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 76532667) has the molecular formula C48H54N8O2S2 and a molecular weight of 839.15 g/mol. Its IUPAC name is 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
• PubChem CID: 76532667
• Molecular Formula: C48H54N8O2S2
• Molecular Weight: 839.15 g/mol
• Exact Mass: 838.38
• IUPAC Name: 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
• SMILES: O=C(C(c1ccccc1)N1CCCCC1)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(c5ccccc5)N5CCCCC5)[nH]4)s3)s2)[nH]1
• InChI: InChI=1S/C48H54N8O2S2/c57-47(43(33-15-5-1-6-16-33)53-25-9-3-10-26-53)55-29-13-19-37(55)45-49-31-35(51-45)39-21-23-41(59-39)42-24-22-40(60-42)36-32-50-46(52-36)38-20-14-30-56(38)48(58)44(34-17-7-2-8-18-34)54-27-11-4-12-28-54/h1-2,5-8,15-18,21-24,31-32,37-38,43-44H,3-4,9-14,19-20,25-30H2,(H,49,51)(H,50,52)
• InChIKey: IWTPXTLMFFTMPX-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 104.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.15
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone?

The IUPAC name of 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone (CID 76532667) is 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone.

What is the SMILES notation for 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone?

The canonical SMILES for 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone is O=C(C(c1ccccc1)N1CCCCC1)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(c5ccccc5)N5CCCCC5)[nH]4)s3)s2)[nH]1.

What is the InChIKey of 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone?

The InChIKey is IWTPXTLMFFTMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54N8O2S2/c57-47(43(33-15-5-1-6-16-33)53-25-9-3-10-26-53)55-29-13-19-37(55)45-49-31-35(51-45)39-21-23-41(59-39)42-24-22-40(60-42)36-32-50-46(52-36)38-20-14-30-56(38)48(58)44(34-17-7-2-8-18-34)54-27-11-4-12-28-54/h1-2,5-8,15-18,21-24,31-32,37-38,43-44H,3-4,9-14,19-20,25-30H2,(H,49,51)(H,50,52).

What are the key properties of 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone?

2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 839.15 g/mol, XLogP of 10.04, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-1-[2-[5-[5-[5-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 76532667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).