N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

C23H23N5O4 — CID 154840618

IUPACN-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCC1(c2cccc(CNC(=O)N3CCC4(C3)C(=O)Nc3ccccc34)c2)NC(=O)NC1=O
InChIInChI=1S/C23H23N5O4/c1-22(18(29)26-20(31)27-22)15-6-4-5-14(11-15)12-24-21(32)28-10-9-23(13-28)16-7-2-3-8-17(16)25-19(23)30/h2-8,11H,9-10,12-13H2,1H3,(H,24,32)(H,25,30)(H2,26,27,29,31)
InChIKeyMNVUNHDKVIHGSD-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.55
Rot. Bonds3

About N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 154840618) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID154840618
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCC1(c2cccc(CNC(=O)N3CCC4(C3)C(=O)Nc3ccccc34)c2)NC(=O)NC1=O
InChIInChI=1S/C23H23N5O4/c1-22(18(29)26-20(31)27-22)15-6-4-5-14(11-15)12-24-21(32)28-10-9-23(13-28)16-7-2-3-8-17(16)25-19(23)30/h2-8,11H,9-10,12-13H2,1H3,(H,24,32)(H,25,30)(H2,26,27,29,31)
InChIKeyMNVUNHDKVIHGSD-UHFFFAOYSA-N
XLogP1.55
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-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-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (CID 154840618) is N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is CC1(c2cccc(CNC(=O)N3CCC4(C3)C(=O)Nc3ccccc34)c2)NC(=O)NC1=O.
What is the InChIKey of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is MNVUNHDKVIHGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-22(18(29)26-20(31)27-22)15-6-4-5-14(11-15)12-24-21(32)28-10-9-23(13-28)16-7-2-3-8-17(16)25-19(23)30/h2-8,11H,9-10,12-13H2,1H3,(H,24,32)(H,25,30)(H2,26,27,29,31).
What are the key properties of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 154840618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).