3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione

C21H25N3O3 — CID 18097294

IUPAC3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)NC(C(C)C)C2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C21H25N3O3/c1-13(2)19-20(26)24(21(27)22-19)12-18(25)17-10-14(3)23(15(17)4)11-16-8-6-5-7-9-16/h5-10,13,19H,11-12H2,1-4H3,(H,22,27)
InChIKeyJYMNHFGBXNDUDC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.91
Rot. Bonds6

About 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione

3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 18097294) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID18097294
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)NC(C(C)C)C2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C21H25N3O3/c1-13(2)19-20(26)24(21(27)22-19)12-18(25)17-10-14(3)23(15(17)4)11-16-8-6-5-7-9-16/h5-10,13,19H,11-12H2,1-4H3,(H,22,27)
InChIKeyJYMNHFGBXNDUDC-UHFFFAOYSA-N
XLogP2.91
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.91
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

3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 84601822
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4819005
(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7618955
(5S)-3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-benzylimidazolidine-2,4-dione
CID 41119412
(5S)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2108646
(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41041203
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
(5S)-5-benzyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 2102714
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 9248909
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
(5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 51726005
5-benzyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17445712

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 18097294) is 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)NC(C(C)C)C2=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is JYMNHFGBXNDUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13(2)19-20(26)24(21(27)22-19)12-18(25)17-10-14(3)23(15(17)4)11-16-8-6-5-7-9-16/h5-10,13,19H,11-12H2,1-4H3,(H,22,27).
What are the key properties of 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 367.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 18097294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).