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

C46H52N8O2 — CID 143630697

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

(2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide (PubChem CID 143630697) has the molecular formula C46H52N8O2 and a molecular weight of 748.98 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide
• PubChem CID: 143630697
• Molecular Formula: C46H52N8O2
• Molecular Weight: 748.98 g/mol
• Exact Mass: 748.42
• IUPAC Name: (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide
• SMILES: CC[C@@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)C(c5ccccc5)N(C)C)[nH]4)cc3)cc2)[nH]1)N(C)C(=O)[C@@H](c1ccccc1)N(C)C
• InChI: InChI=1S/C46H52N8O2/c1-7-39(53(6)45(55)41(51(2)3)35-15-10-8-11-16-35)43-47-29-37(49-43)33-24-20-31(21-25-33)32-22-26-34(27-23-32)38-30-48-44(50-38)40-19-14-28-54(40)46(56)42(52(4)5)36-17-12-9-13-18-36/h8-13,15-18,20-27,29-30,39-42H,7,14,19,28H2,1-6H3,(H,47,49)(H,48,50)/t39-,40-,41+,42?/m0/s1
• InChIKey: FMDMYQLXWHSTAH-NFGCCMORSA-N
• XLogP: 8.31
• TPSA: 104.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.98
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	2
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-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide?

The IUPAC name of (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide (CID 143630697) is (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide.

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

The canonical SMILES for (2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide is CC[C@@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)C(c5ccccc5)N(C)C)[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-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide?

The InChIKey is FMDMYQLXWHSTAH-NFGCCMORSA-N. The full InChI is InChI=1S/C46H52N8O2/c1-7-39(53(6)45(55)41(51(2)3)35-15-10-8-11-16-35)43-47-29-37(49-43)33-24-20-31(21-25-33)32-22-26-34(27-23-32)38-30-48-44(50-38)40-19-14-28-54(40)46(56)42(52(4)5)36-17-12-9-13-18-36/h8-13,15-18,20-27,29-30,39-42H,7,14,19,28H2,1-6H3,(H,47,49)(H,48,50)/t39-,40-,41+,42?/m0/s1.

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

(2R)-2-(dimethylamino)-N-[(1S)-1-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide has a molecular weight of 748.98 g/mol, XLogP of 8.31, 13 rotatable bonds, 2 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-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 143630697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).