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

C19H16ClN3O2 — CID 22325347

IUPAC1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C19H16ClN3O2/c20-14-6-3-7-15-16(14)22-18(21-15)23-10-8-19(9-11-23)13-5-2-1-4-12(13)17(24)25-19/h1-7H,8-11H2,(H,21,22)
InChIKeyPMRYRRQZWAWPNO-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.88
Rot. Bonds1

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

1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 22325347) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID22325347
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C19H16ClN3O2/c20-14-6-3-7-15-16(14)22-18(21-15)23-10-8-19(9-11-23)13-5-2-1-4-12(13)17(24)25-19/h1-7H,8-11H2,(H,21,22)
InChIKeyPMRYRRQZWAWPNO-UHFFFAOYSA-N
XLogP3.88
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 22325347) is 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is PMRYRRQZWAWPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-6-3-7-15-16(14)22-18(21-15)23-10-8-19(9-11-23)13-5-2-1-4-12(13)17(24)25-19/h1-7H,8-11H2,(H,21,22).
What are the key properties of 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 353.81 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 22325347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).