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

C25H21N3O2 — CID 12071667

IUPAC1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4ccc(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C25H21N3O2/c29-23-19-8-4-5-9-20(19)25(30-23)12-14-28(15-13-25)24-26-21-11-10-18(16-22(21)27-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,26,27)
InChIKeyXWIYQJNKTWPXSF-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.90
Rot. Bonds2

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

1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 12071667) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID12071667
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4ccc(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C25H21N3O2/c29-23-19-8-4-5-9-20(19)25(30-23)12-14-28(15-13-25)24-26-21-11-10-18(16-22(21)27-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,26,27)
InChIKeyXWIYQJNKTWPXSF-UHFFFAOYSA-N
XLogP4.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 12071667) is 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3nc4ccc(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is XWIYQJNKTWPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-23-19-8-4-5-9-20(19)25(30-23)12-14-28(15-13-25)24-26-21-11-10-18(16-22(21)27-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,26,27).
What are the key properties of 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 395.46 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 12071667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).