1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid

C34H31N5O4 — CID 86281794

About 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid

1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 86281794) has the molecular formula C34H31N5O4 and a molecular weight of 573.65 g/mol. Its IUPAC name is 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid
• PubChem CID: 86281794
• Molecular Formula: C34H31N5O4
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.24
• IUPAC Name: 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid
• SMILES: Cc1nc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)no1
• InChI: InChI=1S/C34H31N5O4/c1-22-35-32(38-43-22)25-10-8-23(9-11-25)20-39-30-15-14-27(42-21-26-13-12-24-6-2-3-7-28(24)36-26)18-29(30)37-31(39)19-34(33(40)41)16-4-5-17-34/h2-3,6-15,18H,4-5,16-17,19-21H2,1H3,(H,40,41)
• InChIKey: OLIFRJRIAZQOGB-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 116.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid?

The IUPAC name of 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid (CID 86281794) is 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid.

What is the SMILES notation for 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid?

The canonical SMILES for 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid is Cc1nc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)no1.

What is the InChIKey of 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid?

The InChIKey is OLIFRJRIAZQOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N5O4/c1-22-35-32(38-43-22)25-10-8-23(9-11-25)20-39-30-15-14-27(42-21-26-13-12-24-6-2-3-7-28(24)36-26)18-29(30)37-31(39)19-34(33(40)41)16-4-5-17-34/h2-3,6-15,18H,4-5,16-17,19-21H2,1H3,(H,40,41).

What are the key properties of 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid?

1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 573.65 g/mol, XLogP of 6.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 86281794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).