2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

C21H19N5O3 — CID 10430413

IUPAC2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3cnc4ccccc43)cc1C2
InChIInChI=1S/C21H19N5O3/c1-25-20(29)24-19(28)21(25)9-13-6-7-15(8-14(13)10-21)23-18(27)11-26-12-22-16-4-2-3-5-17(16)26/h2-8,12H,9-11H2,1H3,(H,23,27)(H,24,28,29)
InChIKeyOSWMBFVRNSITKH-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.69
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 10430413) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
PubChem CID10430413
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3cnc4ccccc43)cc1C2
InChIInChI=1S/C21H19N5O3/c1-25-20(29)24-19(28)21(25)9-13-6-7-15(8-14(13)10-21)23-18(27)11-26-12-22-16-4-2-3-5-17(16)26/h2-8,12H,9-11H2,1H3,(H,23,27)(H,24,28,29)
InChIKeyOSWMBFVRNSITKH-UHFFFAOYSA-N
XLogP1.69
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 10430413) is 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3cnc4ccccc43)cc1C2.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The InChIKey is OSWMBFVRNSITKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-25-20(29)24-19(28)21(25)9-13-6-7-15(8-14(13)10-21)23-18(27)11-26-12-22-16-4-2-3-5-17(16)26/h2-8,12H,9-11H2,1H3,(H,23,27)(H,24,28,29).
What are the key properties of 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 389.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 10430413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).