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

C23H27N3O4 — CID 15945427

IUPAC3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c(C)n1CC1CCCO1
InChIInChI=1S/C23H27N3O4/c1-15-12-19(16(2)25(15)13-18-10-7-11-30-18)20(27)14-26-21(28)23(3,24-22(26)29)17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13-14H2,1-3H3,(H,24,29)
InChIKeyWAZFPBDGIIFHEO-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.93
Rot. Bonds6

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

3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 15945427) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID15945427
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c(C)n1CC1CCCO1
InChIInChI=1S/C23H27N3O4/c1-15-12-19(16(2)25(15)13-18-10-7-11-30-18)20(27)14-26-21(28)23(3,24-22(26)29)17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13-14H2,1-3H3,(H,24,29)
InChIKeyWAZFPBDGIIFHEO-UHFFFAOYSA-N
XLogP2.93
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 15945427) is 3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c(C)n1CC1CCCO1.
What is the InChIKey of 3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is WAZFPBDGIIFHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-12-19(16(2)25(15)13-18-10-7-11-30-18)20(27)14-26-21(28)23(3,24-22(26)29)17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13-14H2,1-3H3,(H,24,29).
What are the key properties of 3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 409.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 15945427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).