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

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

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Related Compounds

1''-(5-fluoro-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one
CID 22325323
1''-(4,6-dichloro-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one
CID 22325333
1''-(5-chloro-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one
CID 22325336
1''-(1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one
CID 22325344
1''-(4-chloro-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one
CID 22325347
3-oxo-1'-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]spiro[2-benzofuran-1,4'-piperidine]-5-carboxylic acid
CID 56603356
1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 56603412
1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one
CID 56603413
1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one
CID 56603464
2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
CID 71110267
4-[[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]amino]methyl]benzoic acid
CID 71730102
1'-(6-phenyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 12071667

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).