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

C25H27N5O3 — CID 55812416

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCCC(C)C(NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H27N5O3/c1-3-15(2)21(22-26-18-10-6-7-11-19(18)27-22)28-20(31)14-30-23(32)25(29-24(30)33)13-12-16-8-4-5-9-17(16)25/h4-11,15,21H,3,12-14H2,1-2H3,(H,26,27)(H,28,31)(H,29,33)
InChIKeyWWDVJIZIFHTQSD-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.16
Rot. Bonds6

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

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 55812416) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID55812416
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCCC(C)C(NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H27N5O3/c1-3-15(2)21(22-26-18-10-6-7-11-19(18)27-22)28-20(31)14-30-23(32)25(29-24(30)33)13-12-16-8-4-5-9-17(16)25/h4-11,15,21H,3,12-14H2,1-2H3,(H,26,27)(H,28,31)(H,29,33)
InChIKeyWWDVJIZIFHTQSD-UHFFFAOYSA-N
XLogP3.16
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 55812416) is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CCC(C)C(NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is WWDVJIZIFHTQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-3-15(2)21(22-26-18-10-6-7-11-19(18)27-22)28-20(31)14-30-23(32)25(29-24(30)33)13-12-16-8-4-5-9-17(16)25/h4-11,15,21H,3,12-14H2,1-2H3,(H,26,27)(H,28,31)(H,29,33).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 55812416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).