lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride

C40H50LiN9O5 — CID 173233550

About lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride

lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride (PubChem CID 173233550) has the molecular formula C40H50LiN9O5 and a molecular weight of 743.84 g/mol. Its IUPAC name is lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride.

Molecular Properties

• Compound Name: lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride
• PubChem CID: 173233550
• Molecular Formula: C40H50LiN9O5
• Molecular Weight: 743.84 g/mol
• Exact Mass: 743.41
• IUPAC Name: lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride
• SMILES: CCOCCn1c(NC2CCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(-n5cnnn5)ccc4OCCCC(=O)O)C3)CC2)nc2ccccc21.[H-].[Li+]
• InChI: InChI=1S/C40H49N9O5.Li.H/c1-2-53-26-24-48-35-12-7-6-11-34(35)43-39(48)42-31-16-20-46(21-17-31)22-18-40(30-9-4-3-5-10-30)19-23-47(28-40)38(52)33-27-32(49-29-41-44-45-49)14-15-36(33)54-25-8-13-37(50)51;;/h3-7,9-12,14-15,27,29,31H,2,8,13,16-26,28H2,1H3,(H,42,43)(H,50,51);;/q;+1;-1
• InChIKey: ZOZQVEKYMHHBAM-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 152.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.84
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride?

The IUPAC name of lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride (CID 173233550) is lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride.

What is the SMILES notation for lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride?

The canonical SMILES for lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride is CCOCCn1c(NC2CCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(-n5cnnn5)ccc4OCCCC(=O)O)C3)CC2)nc2ccccc21.[H-].[Li+].

What is the InChIKey of lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride?

The InChIKey is ZOZQVEKYMHHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N9O5.Li.H/c1-2-53-26-24-48-35-12-7-6-11-34(35)43-39(48)42-31-16-20-46(21-17-31)22-18-40(30-9-4-3-5-10-30)19-23-47(28-40)38(52)33-27-32(49-29-41-44-45-49)14-15-36(33)54-25-8-13-37(50)51;;/h3-7,9-12,14-15,27,29,31H,2,8,13,16-26,28H2,1H3,(H,42,43)(H,50,51);;/q;+1;-1.

What are the key properties of lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride?

lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride has a molecular weight of 743.84 g/mol, XLogP of 2.16, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-[2-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoic acid;hydride is sourced from PubChem (CID 173233550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).