(2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide

C44H48N8O2 — CID 59372492

About (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide

(2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 59372492) has the molecular formula C44H48N8O2 and a molecular weight of 720.92 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide
• PubChem CID: 59372492
• Molecular Formula: C44H48N8O2
• Molecular Weight: 720.92 g/mol
• Exact Mass: 720.39
• IUPAC Name: (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide
• SMILES: C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)[nH]1
• InChI: InChI=1S/C44H48N8O2/c1-29(47-43(53)39(50(2)3)34-13-8-6-9-14-34)41-45-27-36(48-41)32-22-18-30(19-23-32)31-20-24-33(25-21-31)37-28-46-42(49-37)38-17-12-26-52(38)44(54)40(51(4)5)35-15-10-7-11-16-35/h6-11,13-16,18-25,27-29,38-40H,12,17,26H2,1-5H3,(H,45,48)(H,46,49)(H,47,53)/t29-,38-,39+,40+/m0/s1
• InChIKey: BJIQMKIIZGCCQV-WNCNUEISSA-N
• XLogP: 7.58
• TPSA: 113.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.92
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide?

The IUPAC name of (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide (CID 59372492) is (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide.

What is the SMILES notation for (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide?

The canonical SMILES for (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide is C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)[nH]1.

What is the InChIKey of (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide?

The InChIKey is BJIQMKIIZGCCQV-WNCNUEISSA-N. The full InChI is InChI=1S/C44H48N8O2/c1-29(47-43(53)39(50(2)3)34-13-8-6-9-14-34)41-45-27-36(48-41)32-22-18-30(19-23-32)31-20-24-33(25-21-31)37-28-46-42(49-37)38-17-12-26-52(38)44(54)40(51(4)5)35-15-10-7-11-16-35/h6-11,13-16,18-25,27-29,38-40H,12,17,26H2,1-5H3,(H,45,48)(H,46,49)(H,47,53)/t29-,38-,39+,40+/m0/s1.

What are the key properties of (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide?

(2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 720.92 g/mol, XLogP of 7.58, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 59372492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).