N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide

C44H42N8O4 — CID 87286364

About N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide

N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide (PubChem CID 87286364) has the molecular formula C44H42N8O4 and a molecular weight of 746.87 g/mol. Its IUPAC name is N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide
• PubChem CID: 87286364
• Molecular Formula: C44H42N8O4
• Molecular Weight: 746.87 g/mol
• Exact Mass: 746.33
• IUPAC Name: N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide
• SMILES: O=CNC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC=O)c5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1
• InChI: InChI=1S/C44H42N8O4/c53-27-47-39(33-9-3-1-4-10-33)43(55)51-23-7-13-37(51)41-45-25-35(49-41)31-19-15-29(16-20-31)30-17-21-32(22-18-30)36-26-46-42(50-36)38-14-8-24-52(38)44(56)40(48-28-54)34-11-5-2-6-12-34/h1-6,9-12,15-22,25-28,37-40H,7-8,13-14,23-24H2,(H,45,49)(H,46,50)(H,47,53)(H,48,54)
• InChIKey: MZMCBFFZRZHSDI-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 156.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.87
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide?

The IUPAC name of N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide (CID 87286364) is N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide.

What is the SMILES notation for N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide?

The canonical SMILES for N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide is O=CNC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC=O)c5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1.

What is the InChIKey of N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide?

The InChIKey is MZMCBFFZRZHSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N8O4/c53-27-47-39(33-9-3-1-4-10-33)43(55)51-23-7-13-37(51)41-45-25-35(49-41)31-19-15-29(16-20-31)30-17-21-32(22-18-30)36-26-46-42(50-36)38-14-8-24-52(38)44(56)40(48-28-54)34-11-5-2-6-12-34/h1-6,9-12,15-22,25-28,37-40H,7-8,13-14,23-24H2,(H,45,49)(H,46,50)(H,47,53)(H,48,54).

What are the key properties of N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide?

N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide has a molecular weight of 746.87 g/mol, XLogP of 6.44, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide is sourced from PubChem (CID 87286364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).