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

C19H17N3O2 — CID 22325344

IUPAC1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C19H17N3O2/c23-17-13-5-1-2-6-14(13)19(24-17)9-11-22(12-10-19)18-20-15-7-3-4-8-16(15)21-18/h1-8H,9-12H2,(H,20,21)
InChIKeyQCYXSEHOIKPNEU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.23
Rot. Bonds1

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

1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 22325344) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID22325344
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C19H17N3O2/c23-17-13-5-1-2-6-14(13)19(24-17)9-11-22(12-10-19)18-20-15-7-3-4-8-16(15)21-18/h1-8H,9-12H2,(H,20,21)
InChIKeyQCYXSEHOIKPNEU-UHFFFAOYSA-N
XLogP3.23
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 22325344) is 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is QCYXSEHOIKPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17-13-5-1-2-6-14(13)19(24-17)9-11-22(12-10-19)18-20-15-7-3-4-8-16(15)21-18/h1-8H,9-12H2,(H,20,21).
What are the key properties of 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 319.36 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 22325344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).