3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

Name: 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₁N₃O₄ — CID 121159746

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

SMILESCC(C)Oc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)C2)cc1

InChIInChI=1S/C17H21N3O4/c1-11(2)24-14-5-3-12(4-6-14)16(22)19-8-7-13(10-19)20-15(21)9-18-17(20)23/h3-6,11,13H,7-10H2,1-2H3,(H,18,23)

InChIKeyJASDBORQVPWCBZ-UHFFFAOYSA-N

MW331.37 g/mol

LogP1.24

Rot. Bonds4

About 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159746) has the molecular formula C₁₇H₂₁N₃O₄ and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID	121159746
Molecular Formula	C₁₇H₂₁N₃O₄
Molecular Weight	331.37 g/mol
Exact Mass	331.15
IUPAC Name	3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILES	CC(C)Oc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)C2)cc1
InChI	InChI=1S/C17H21N3O4/c1-11(2)24-14-5-3-12(4-6-14)16(22)19-8-7-13(10-19)20-15(21)9-18-17(20)23/h3-6,11,13H,7-10H2,1-2H3,(H,18,23)
InChIKey	JASDBORQVPWCBZ-UHFFFAOYSA-N
XLogP	1.24
TPSA	78.95 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.37
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?

The IUPAC name of 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159746) is 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is CC(C)Oc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)C2)cc1.

What is the InChIKey of 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?

The InChIKey is JASDBORQVPWCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11(2)24-14-5-3-12(4-6-14)16(22)19-8-7-13(10-19)20-15(21)9-18-17(20)23/h3-6,11,13H,7-10H2,1-2H3,(H,18,23).

What are the key properties of 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?

3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 331.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121159746 — identifiers, structure, computed properties (public domain)

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