5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione

C21H22N4O4 — CID 42933668

IUPAC5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione
SMILESCC1C(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H22N4O4/c1-14-19(27)24(21(29)25(14)16-7-3-2-4-8-16)13-18(26)15-11-17(22-12-15)20(28)23-9-5-6-10-23/h2-4,7-8,11-12,14,22H,5-6,9-10,13H2,1H3
InChIKeyMUEHKGVMCOVPAP-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.29
Rot. Bonds5

About 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione

5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione (PubChem CID 42933668) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione
PubChem CID42933668
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione
SMILESCC1C(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H22N4O4/c1-14-19(27)24(21(29)25(14)16-7-3-2-4-8-16)13-18(26)15-11-17(22-12-15)20(28)23-9-5-6-10-23/h2-4,7-8,11-12,14,22H,5-6,9-10,13H2,1H3
InChIKeyMUEHKGVMCOVPAP-UHFFFAOYSA-N
XLogP2.29
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7aR)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 27941969
2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 33214961
2-(4-phenylpiperazin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 9250313
(5R)-5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]imidazolidine-2,4-dione
CID 2470328
(5S)-3-[2-(2-methoxyphenyl)-2-oxoethyl]-5-methyl-1-phenylimidazolidine-2,4-dione
CID 39026900
benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
CID 9445986
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 31034299
1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one
CID 9475733
(5S)-5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40794707
1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43034189
N-cyclopropyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide
CID 39537413

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione (CID 42933668) is 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione is CC1C(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione?
The InChIKey is MUEHKGVMCOVPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-19(27)24(21(29)25(14)16-7-3-2-4-8-16)13-18(26)15-11-17(22-12-15)20(28)23-9-5-6-10-23/h2-4,7-8,11-12,14,22H,5-6,9-10,13H2,1H3.
What are the key properties of 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione?
5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione has a molecular weight of 394.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 42933668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).