1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C25H23N3O4 — CID 2539742

IUPAC1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-17-13-21(18(2)26(17)14-19-9-5-3-6-10-19)22(29)16-28-24(31)23(30)27(25(28)32)15-20-11-7-4-8-12-20/h3-13H,14-16H2,1-2H3
InChIKeyLBZPCYQQPSXKQW-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.33
Rot. Bonds7

About 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 2539742) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID2539742
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-17-13-21(18(2)26(17)14-19-9-5-3-6-10-19)22(29)16-28-24(31)23(30)27(25(28)32)15-20-11-7-4-8-12-20/h3-13H,14-16H2,1-2H3
InChIKeyLBZPCYQQPSXKQW-UHFFFAOYSA-N
XLogP3.33
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 2539742) is 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is LBZPCYQQPSXKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-13-21(18(2)26(17)14-19-9-5-3-6-10-19)22(29)16-28-24(31)23(30)27(25(28)32)15-20-11-7-4-8-12-20/h3-13H,14-16H2,1-2H3.
What are the key properties of 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 429.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2539742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).