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

C24H19ClN4O2 — CID 56603411

IUPAC1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2ccccc21
InChIInChI=1S/C24H19ClN4O2/c25-16-6-7-19-20(13-16)28-22(27-19)15-5-8-21(26-14-15)29-11-9-24(10-12-29)18-4-2-1-3-17(18)23(30)31-24/h1-8,13-14H,9-12H2,(H,27,28)
InChIKeyCGNPFIKNBWEDMF-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.94
Rot. Bonds2

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

1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 56603411) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID56603411
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2ccccc21
InChIInChI=1S/C24H19ClN4O2/c25-16-6-7-19-20(13-16)28-22(27-19)15-5-8-21(26-14-15)29-11-9-24(10-12-29)18-4-2-1-3-17(18)23(30)31-24/h1-8,13-14H,9-12H2,(H,27,28)
InChIKeyCGNPFIKNBWEDMF-UHFFFAOYSA-N
XLogP4.94
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 56603411) is 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2ccccc21.
What is the InChIKey of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is CGNPFIKNBWEDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c25-16-6-7-19-20(13-16)28-22(27-19)15-5-8-21(26-14-15)29-11-9-24(10-12-29)18-4-2-1-3-17(18)23(30)31-24/h1-8,13-14H,9-12H2,(H,27,28).
What are the key properties of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 430.90 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 56603411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).