N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide

C32H32N4O3 — CID 77400283

About N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide

N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide (PubChem CID 77400283) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide
• PubChem CID: 77400283
• Molecular Formula: C32H32N4O3
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.25
• IUPAC Name: N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide
• SMILES: O=C(NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1)c1ccccc1)C1CCCO1
• InChI: InChI=1S/C32H32N4O3/c37-31(28-14-8-20-39-28)35-29(25-11-5-2-6-12-25)32(38)36-19-7-13-27(36)30-33-21-26(34-30)24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-6,9-12,15-18,21,27-29H,7-8,13-14,19-20H2,(H,33,34)(H,35,37)
• InChIKey: ZNHYKMUVPLULLA-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide?

The IUPAC name of N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide (CID 77400283) is N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide.

What is the SMILES notation for N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide?

The canonical SMILES for N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide is O=C(NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1)c1ccccc1)C1CCCO1.

What is the InChIKey of N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide?

The InChIKey is ZNHYKMUVPLULLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3/c37-31(28-14-8-20-39-28)35-29(25-11-5-2-6-12-25)32(38)36-19-7-13-27(36)30-33-21-26(34-30)24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-6,9-12,15-18,21,27-29H,7-8,13-14,19-20H2,(H,33,34)(H,35,37).

What are the key properties of N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide?

N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-1-phenyl-2-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 77400283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).