1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C20H19N3O2 — CID 22325346

IUPAC1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C20H19N3O2/c1-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)25-20/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyIRDOMFKPNLFWGW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.54
Rot. Bonds1

About 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 22325346) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID22325346
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C20H19N3O2/c1-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)25-20/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyIRDOMFKPNLFWGW-UHFFFAOYSA-N
XLogP3.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 22325346) is 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is Cc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.
What is the InChIKey of 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is IRDOMFKPNLFWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)25-20/h2-7,12H,8-11H2,1H3,(H,21,22).
What are the key properties of 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 333.39 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 22325346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).