3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione

C18H27N3O3 — CID 18775731

IUPAC3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCCn1c(C)cc(C(=O)CN2C(=O)NC(CC)(CC)C2=O)c1C
InChIInChI=1S/C18H27N3O3/c1-6-9-20-12(4)10-14(13(20)5)15(22)11-21-16(23)18(7-2,8-3)19-17(21)24/h10H,6-9,11H2,1-5H3,(H,19,24)
InChIKeyMHYMTYFWHMSLMK-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.81
Rot. Bonds7

About 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione

3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 18775731) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID18775731
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCCn1c(C)cc(C(=O)CN2C(=O)NC(CC)(CC)C2=O)c1C
InChIInChI=1S/C18H27N3O3/c1-6-9-20-12(4)10-14(13(20)5)15(22)11-21-16(23)18(7-2,8-3)19-17(21)24/h10H,6-9,11H2,1-5H3,(H,19,24)
InChIKeyMHYMTYFWHMSLMK-UHFFFAOYSA-N
XLogP2.81
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 18775724
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691332
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266376
(5R)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242269
3'-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 84601384
1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824094
(4R)-3'-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7168426
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359236
(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 41169021
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7181977
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7850205
5,5-dimethyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7181988

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (CID 18775731) is 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is CCCn1c(C)cc(C(=O)CN2C(=O)NC(CC)(CC)C2=O)c1C.
What is the InChIKey of 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is MHYMTYFWHMSLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-6-9-20-12(4)10-14(13(20)5)15(22)11-21-16(23)18(7-2,8-3)19-17(21)24/h10H,6-9,11H2,1-5H3,(H,19,24).
What are the key properties of 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 333.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 18775731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).