3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione

C22H27N3O3 — CID 60519577

IUPAC3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)c(C)n1CCC(C)C
InChIInChI=1S/C22H27N3O3/c1-15(2)10-11-23-16(3)12-19(17(23)4)20(26)13-25-21(27)14-24(22(25)28)18-8-6-5-7-9-18/h5-9,12,15H,10-11,13-14H2,1-4H3
InChIKeyZPUUCURHKHHSNF-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.80
Rot. Bonds7

About 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione

3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione (PubChem CID 60519577) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
PubChem CID60519577
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)c(C)n1CCC(C)C
InChIInChI=1S/C22H27N3O3/c1-15(2)10-11-23-16(3)12-19(17(23)4)20(26)13-25-21(27)14-24(22(25)28)18-8-6-5-7-9-18/h5-9,12,15H,10-11,13-14H2,1-4H3
InChIKeyZPUUCURHKHHSNF-UHFFFAOYSA-N
XLogP3.80
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
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 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione (CID 60519577) is 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)c(C)n1CCC(C)C.
What is the InChIKey of 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione?
The InChIKey is ZPUUCURHKHHSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15(2)10-11-23-16(3)12-19(17(23)4)20(26)13-25-21(27)14-24(22(25)28)18-8-6-5-7-9-18/h5-9,12,15H,10-11,13-14H2,1-4H3.
What are the key properties of 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione?
3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione has a molecular weight of 381.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 60519577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).