3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

C15H17N3O3 — CID 18135535

IUPAC3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1ccccc1CN1C(=O)CNC1=O)N1CCCC1
InChIInChI=1S/C15H17N3O3/c19-13-9-16-15(21)18(13)10-11-5-1-2-6-12(11)14(20)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,21)
InChIKeyGXLCCFCBNGMORU-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.97
Rot. Bonds3

About 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 18135535) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID18135535
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1ccccc1CN1C(=O)CNC1=O)N1CCCC1
InChIInChI=1S/C15H17N3O3/c19-13-9-16-15(21)18(13)10-11-5-1-2-6-12(11)14(20)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,21)
InChIKeyGXLCCFCBNGMORU-UHFFFAOYSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 17455085
(2-oxo-2-piperidin-1-ylethyl) 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 18133845
[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 13041721
3-[[2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 24610091
N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35052429
1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione
CID 69026361
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide
CID 17435485
oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 51075280
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42893512
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 24669491
(2-nitrophenyl)methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 30209257

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (CID 18135535) is 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCCC1.
What is the InChIKey of 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is GXLCCFCBNGMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13-9-16-15(21)18(13)10-11-5-1-2-6-12(11)14(20)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,21).
What are the key properties of 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 287.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18135535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).