N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide

C17H23N3O3 — CID 155574497

IUPACN-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)n1c(=O)n(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C17H23N3O3/c1-11(2)12-7-8-13-15(10-12)19(4)17(23)20(13)14(6-5-9-21)16(22)18-3/h7-11,14H,5-6H2,1-4H3,(H,18,22)
InChIKeyWXWSXCPFJUYYBG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.73
Rot. Bonds6

About N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide

N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide (PubChem CID 155574497) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide
PubChem CID155574497
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)n1c(=O)n(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C17H23N3O3/c1-11(2)12-7-8-13-15(10-12)19(4)17(23)20(13)14(6-5-9-21)16(22)18-3/h7-11,14H,5-6H2,1-4H3,(H,18,22)
InChIKeyWXWSXCPFJUYYBG-UHFFFAOYSA-N
XLogP1.73
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide (CID 155574497) is N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide is CNC(=O)C(CCC=O)n1c(=O)n(C)c2cc(C(C)C)ccc21.
What is the InChIKey of N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide?
The InChIKey is WXWSXCPFJUYYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)12-7-8-13-15(10-12)19(4)17(23)20(13)14(6-5-9-21)16(22)18-3/h7-11,14H,5-6H2,1-4H3,(H,18,22).
What are the key properties of N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide?
N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide has a molecular weight of 317.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 155574497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).