3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione

C27H29N3O5 — CID 42984685

IUPAC3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCCn1c(C)cc(C(=O)CN2C(=O)NC(c3ccc(OC)cc3)(c3ccc(OC)cc3)C2=O)c1C
InChIInChI=1S/C27H29N3O5/c1-6-29-17(2)15-23(18(29)3)24(31)16-30-25(32)27(28-26(30)33,19-7-11-21(34-4)12-8-19)20-9-13-22(35-5)14-10-20/h7-15H,6,16H2,1-5H3,(H,28,33)
InChIKeyAFYRNMUTWODBMP-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.82
Rot. Bonds8

About 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione

3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 42984685) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID42984685
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCCn1c(C)cc(C(=O)CN2C(=O)NC(c3ccc(OC)cc3)(c3ccc(OC)cc3)C2=O)c1C
InChIInChI=1S/C27H29N3O5/c1-6-29-17(2)15-23(18(29)3)24(31)16-30-25(32)27(28-26(30)33,19-7-11-21(34-4)12-8-19)20-9-13-22(35-5)14-10-20/h7-15H,6,16H2,1-5H3,(H,28,33)
InChIKeyAFYRNMUTWODBMP-UHFFFAOYSA-N
XLogP3.82
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 18775724
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7181977
3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815456
3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
CID 3452355
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 51448091
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617609
(5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7630821
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 43031032
5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24520074
(5S)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178272
5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 4804731
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266376

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione (CID 42984685) is 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione is CCn1c(C)cc(C(=O)CN2C(=O)NC(c3ccc(OC)cc3)(c3ccc(OC)cc3)C2=O)c1C.
What is the InChIKey of 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is AFYRNMUTWODBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-6-29-17(2)15-23(18(29)3)24(31)16-30-25(32)27(28-26(30)33,19-7-11-21(34-4)12-8-19)20-9-13-22(35-5)14-10-20/h7-15H,6,16H2,1-5H3,(H,28,33).
What are the key properties of 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 475.55 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42984685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).