N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide

C52H60N8O8 — CID 91492488

About N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide

N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 91492488) has the molecular formula C52H60N8O8 and a molecular weight of 925.10 g/mol. Its IUPAC name is N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide
• PubChem CID: 91492488
• Molecular Formula: C52H60N8O8
• Molecular Weight: 925.10 g/mol
• Exact Mass: 924.45
• IUPAC Name: N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide
• SMILES: COCCOc1c(-c2ccc(-c3cnc(C4CCCN4C(O)C(NC(C)=O)c4ccccc4)[nH]3)cc2)ccc(-c2cnc(C3CCCN3C(=O)C(NC(C)=O)c3ccccc3)[nH]2)c1OCCOC
• InChI: InChI=1S/C52H60N8O8/c1-33(61)55-45(37-13-7-5-8-14-37)51(63)59-25-11-17-43(59)49-53-31-41(57-49)36-21-19-35(20-22-36)39-23-24-40(48(68-30-28-66-4)47(39)67-29-27-65-3)42-32-54-50(58-42)44-18-12-26-60(44)52(64)46(56-34(2)62)38-15-9-6-10-16-38/h5-10,13-16,19-24,31-32,43-46,51,63H,11-12,17-18,25-30H2,1-4H3,(H,53,57)(H,54,58)(H,55,61)(H,56,62)
• InChIKey: PGBANKMRNBZMNW-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 196.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.10
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide?

The IUPAC name of N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide (CID 91492488) is N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide.

What is the SMILES notation for N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide?

The canonical SMILES for N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide is COCCOc1c(-c2ccc(-c3cnc(C4CCCN4C(O)C(NC(C)=O)c4ccccc4)[nH]3)cc2)ccc(-c2cnc(C3CCCN3C(=O)C(NC(C)=O)c3ccccc3)[nH]2)c1OCCOC.

What is the InChIKey of N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide?

The InChIKey is PGBANKMRNBZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N8O8/c1-33(61)55-45(37-13-7-5-8-14-37)51(63)59-25-11-17-43(59)49-53-31-41(57-49)36-21-19-35(20-22-36)39-23-24-40(48(68-30-28-66-4)47(39)67-29-27-65-3)42-32-54-50(58-42)44-18-12-26-60(44)52(64)46(56-34(2)62)38-15-9-6-10-16-38/h5-10,13-16,19-24,31-32,43-46,51,63H,11-12,17-18,25-30H2,1-4H3,(H,53,57)(H,54,58)(H,55,61)(H,56,62).

What are the key properties of N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide?

N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 925.10 g/mol, XLogP of 7.06, 20 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-[4-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,3-bis(2-methoxyethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 91492488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).