N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide

C22H22N4O3 — CID 44580746

IUPACN,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C22H22N4O3/c1-25(2)19(27)14-7-8-17-18(13-14)24-21(23-17)26-11-9-22(10-12-26)16-6-4-3-5-15(16)20(28)29-22/h3-8,13H,9-12H2,1-2H3,(H,23,24)
InChIKeySUZORCUEJYIJPL-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.93
Rot. Bonds2

About N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide

N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 44580746) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide
PubChem CID44580746
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C22H22N4O3/c1-25(2)19(27)14-7-8-17-18(13-14)24-21(23-17)26-11-9-22(10-12-26)16-6-4-3-5-15(16)20(28)29-22/h3-8,13H,9-12H2,1-2H3,(H,23,24)
InChIKeySUZORCUEJYIJPL-UHFFFAOYSA-N
XLogP2.93
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide (CID 44580746) is N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide is CN(C)C(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is SUZORCUEJYIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25(2)19(27)14-7-8-17-18(13-14)24-21(23-17)26-11-9-22(10-12-26)16-6-4-3-5-15(16)20(28)29-22/h3-8,13H,9-12H2,1-2H3,(H,23,24).
What are the key properties of N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide?
N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 44580746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).