3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

C21H21N3O3 — CID 47019593

IUPAC3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1cccc(C(=O)N2CCCC2c2ccccc2)c1
InChIInChI=1S/C21H21N3O3/c25-19-13-22-21(27)24(19)14-15-6-4-9-17(12-15)20(26)23-11-5-10-18(23)16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,22,27)
InChIKeyQYESNQXROKCEOP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.72
Rot. Bonds4

About 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 47019593) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID47019593
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1cccc(C(=O)N2CCCC2c2ccccc2)c1
InChIInChI=1S/C21H21N3O3/c25-19-13-22-21(27)24(19)14-15-6-4-9-17(12-15)20(26)23-11-5-10-18(23)16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,22,27)
InChIKeyQYESNQXROKCEOP-UHFFFAOYSA-N
XLogP2.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (CID 47019593) is 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1Cc1cccc(C(=O)N2CCCC2c2ccccc2)c1.
What is the InChIKey of 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is QYESNQXROKCEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19-13-22-21(27)24(19)14-15-6-4-9-17(12-15)20(26)23-11-5-10-18(23)16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,22,27).
What are the key properties of 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 47019593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).