2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid

C20H17N3O4 — CID 22325349

IUPAC2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C20H17N3O4/c24-17(25)12-5-6-15-16(11-12)22-19(21-15)23-9-7-20(8-10-23)14-4-2-1-3-13(14)18(26)27-20/h1-6,11H,7-10H2,(H,21,22)(H,24,25)
InChIKeyUFUKIJYVRWRXGP-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.93
Rot. Bonds2

About 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid

2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 22325349) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid
PubChem CID22325349
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C20H17N3O4/c24-17(25)12-5-6-15-16(11-12)22-19(21-15)23-9-7-20(8-10-23)14-4-2-1-3-13(14)18(26)27-20/h1-6,11H,7-10H2,(H,21,22)(H,24,25)
InChIKeyUFUKIJYVRWRXGP-UHFFFAOYSA-N
XLogP2.93
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid (CID 22325349) is 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.
What is the InChIKey of 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is UFUKIJYVRWRXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-17(25)12-5-6-15-16(11-12)22-19(21-15)23-9-7-20(8-10-23)14-4-2-1-3-13(14)18(26)27-20/h1-6,11H,7-10H2,(H,21,22)(H,24,25).
What are the key properties of 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid?
2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 22325349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).