1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione

C24H27N3O4 — CID 4785037

IUPAC1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1CCc1ccccc1
InChIInChI=1S/C24H27N3O4/c1-16-14-20(17(2)25(16)13-12-18-8-4-3-5-9-18)21(28)15-26-22(29)23(30)27(24(26)31)19-10-6-7-11-19/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3
InChIKeyMUDIBLORKOHCNC-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.26
Rot. Bonds7

About 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 4785037) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID4785037
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1CCc1ccccc1
InChIInChI=1S/C24H27N3O4/c1-16-14-20(17(2)25(16)13-12-18-8-4-3-5-9-18)21(28)15-26-22(29)23(30)27(24(26)31)19-10-6-7-11-19/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3
InChIKeyMUDIBLORKOHCNC-UHFFFAOYSA-N
XLogP3.26
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.26
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-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione (CID 4785037) is 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione is Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1CCc1ccccc1.
What is the InChIKey of 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is MUDIBLORKOHCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-14-20(17(2)25(16)13-12-18-8-4-3-5-9-18)21(28)15-26-22(29)23(30)27(24(26)31)19-10-6-7-11-19/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 421.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 4785037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).