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

C21H20N4O3 — CID 44580745

IUPACN-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C21H20N4O3/c1-22-18(26)13-6-7-16-17(12-13)24-20(23-16)25-10-8-21(9-11-25)15-5-3-2-4-14(15)19(27)28-21/h2-7,12H,8-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyRTRXGUQHWGSXHR-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.59
Rot. Bonds2

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

N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 44580745) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide
PubChem CID44580745
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C21H20N4O3/c1-22-18(26)13-6-7-16-17(12-13)24-20(23-16)25-10-8-21(9-11-25)15-5-3-2-4-14(15)19(27)28-21/h2-7,12H,8-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyRTRXGUQHWGSXHR-UHFFFAOYSA-N
XLogP2.59
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide (CID 44580745) is N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide is CNC(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.
What is the InChIKey of N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is RTRXGUQHWGSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-22-18(26)13-6-7-16-17(12-13)24-20(23-16)25-10-8-21(9-11-25)15-5-3-2-4-14(15)19(27)28-21/h2-7,12H,8-11H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide?
N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 44580745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).