1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C19H15ClFN3O2 — CID 44580100

IUPAC1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C19H15ClFN3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23)
InChIKeyWVYXEXFDXWLPTB-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.02
Rot. Bonds1

About 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 44580100) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID44580100
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C19H15ClFN3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23)
InChIKeyWVYXEXFDXWLPTB-UHFFFAOYSA-N
XLogP4.02
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 44580100) is 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is WVYXEXFDXWLPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23).
What are the key properties of 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 371.80 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 44580100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).