(2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide

C48H52N8O2 — CID 130410198

About (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide

(2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide (PubChem CID 130410198) has the molecular formula C48H52N8O2 and a molecular weight of 773.00 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide
• PubChem CID: 130410198
• Molecular Formula: C48H52N8O2
• Molecular Weight: 773.00 g/mol
• Exact Mass: 772.42
• IUPAC Name: (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide
• SMILES: C[C@@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C=CCN5C(=O)[C@@H](c5ccccc5)N5CCCCC5)[nH]4)cc3)cc2)[nH]1)N(C)C(=O)[C@@H](c1ccccc1)N(C)C
• InChI: InChI=1S/C48H52N8O2/c1-33(54(4)47(57)43(53(2)3)38-15-8-5-9-16-38)45-49-31-40(51-45)36-24-20-34(21-25-36)35-22-26-37(27-23-35)41-32-50-46(52-41)42-19-14-30-56(42)48(58)44(39-17-10-6-11-18-39)55-28-12-7-13-29-55/h5-6,8-11,14-27,31-33,42-44H,7,12-13,28-30H2,1-4H3,(H,49,51)(H,50,52)/t33-,42-,43+,44+/m0/s1
• InChIKey: SFLBHTHAABXIGF-CJYYOIEVSA-N
• XLogP: 8.62
• TPSA: 104.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.00
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide?

The IUPAC name of (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide (CID 130410198) is (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide.

What is the SMILES notation for (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide?

The canonical SMILES for (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide is C[C@@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C=CCN5C(=O)[C@@H](c5ccccc5)N5CCCCC5)[nH]4)cc3)cc2)[nH]1)N(C)C(=O)[C@@H](c1ccccc1)N(C)C.

What is the InChIKey of (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide?

The InChIKey is SFLBHTHAABXIGF-CJYYOIEVSA-N. The full InChI is InChI=1S/C48H52N8O2/c1-33(54(4)47(57)43(53(2)3)38-15-8-5-9-16-38)45-49-31-40(51-45)36-24-20-34(21-25-36)35-22-26-37(27-23-35)41-32-50-46(52-41)42-19-14-30-56(42)48(58)44(39-17-10-6-11-18-39)55-28-12-7-13-29-55/h5-6,8-11,14-27,31-33,42-44H,7,12-13,28-30H2,1-4H3,(H,49,51)(H,50,52)/t33-,42-,43+,44+/m0/s1.

What are the key properties of (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide?

(2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide has a molecular weight of 773.00 g/mol, XLogP of 8.62, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(dimethylamino)-N-methyl-2-phenyl-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 130410198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).