[1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

C46H48N8O5 — CID 172825580

About [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

[1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 172825580) has the molecular formula C46H48N8O5 and a molecular weight of 792.94 g/mol. Its IUPAC name is [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
• PubChem CID: 172825580
• Molecular Formula: C46H48N8O5
• Molecular Weight: 792.94 g/mol
• Exact Mass: 792.37
• IUPAC Name: [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
• SMILES: CC(C)C(NC(=O)O)C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CC(=O)CN6C(=O)C(c6ccccc6)N(C)C)[nH]5)cc4)ccc3c2)[nH]1
• InChI: InChI=1S/C46H48N8O5/c1-27(2)40(51-46(58)59)44(56)53-20-8-11-38(53)42-47-25-37(50-42)34-19-18-32-21-31(16-17-33(32)22-34)28-12-14-29(15-13-28)36-24-48-43(49-36)39-23-35(55)26-54(39)45(57)41(52(3)4)30-9-6-5-7-10-30/h5-7,9-10,12-19,21-22,24-25,27,38-41,51H,8,11,20,23,26H2,1-4H3,(H,47,50)(H,48,49)(H,58,59)
• InChIKey: UUVLHWNYOLBEAJ-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 167.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.94
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The IUPAC name of [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 172825580) is [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

What is the SMILES notation for [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The canonical SMILES for [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)C(NC(=O)O)C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CC(=O)CN6C(=O)C(c6ccccc6)N(C)C)[nH]5)cc4)ccc3c2)[nH]1.

What is the InChIKey of [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The InChIKey is UUVLHWNYOLBEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N8O5/c1-27(2)40(51-46(58)59)44(56)53-20-8-11-38(53)42-47-25-37(50-42)34-19-18-32-21-31(16-17-33(32)22-34)28-12-14-29(15-13-28)36-24-48-43(49-36)39-23-35(55)26-54(39)45(57)41(52(3)4)30-9-6-5-7-10-30/h5-7,9-10,12-19,21-22,24-25,27,38-41,51H,8,11,20,23,26H2,1-4H3,(H,47,50)(H,48,49)(H,58,59).

What are the key properties of [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

[1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 792.94 g/mol, XLogP of 7.39, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[5-[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 172825580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).