sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

C36H34N3NaO4 — CID 173297513

About sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid (PubChem CID 173297513) has the molecular formula C36H34N3NaO4 and a molecular weight of 595.68 g/mol. Its IUPAC name is sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid.

Molecular Properties

• Compound Name: sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
• PubChem CID: 173297513
• Molecular Formula: C36H34N3NaO4
• Molecular Weight: 595.68 g/mol
• Exact Mass: 595.24
• IUPAC Name: sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
• SMILES: CC1(COc2ccc(C(C)(CCC(=O)O)c3ccc(OCc4ccc5ccccc5n4)cc3)cc2)N=c2ccccc2=N1.[H-].[Na+]
• InChI: InChI=1S/C36H33N3O4.Na.H/c1-35(22-21-34(40)41,26-12-17-29(18-13-26)42-23-28-16-11-25-7-3-4-8-31(25)37-28)27-14-19-30(20-15-27)43-24-36(2)38-32-9-5-6-10-33(32)39-36;;/h3-20H,21-24H2,1-2H3,(H,40,41);;/q;+1;-1
• InChIKey: LWXKXVXKSLKZME-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.68
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?

The IUPAC name of sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid (CID 173297513) is sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid.

What is the SMILES notation for sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?

The canonical SMILES for sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid is CC1(COc2ccc(C(C)(CCC(=O)O)c3ccc(OCc4ccc5ccccc5n4)cc3)cc2)N=c2ccccc2=N1.[H-].[Na+].

What is the InChIKey of sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?

The InChIKey is LWXKXVXKSLKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O4.Na.H/c1-35(22-21-34(40)41,26-12-17-29(18-13-26)42-23-28-16-11-25-7-3-4-8-31(25)37-28)27-14-19-30(20-15-27)43-24-36(2)38-32-9-5-6-10-33(32)39-36;;/h3-20H,21-24H2,1-2H3,(H,40,41);;/q;+1;-1.

What are the key properties of sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?

sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid has a molecular weight of 595.68 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 173297513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).