3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

C16H19N3O5 — CID 121159752

IUPAC3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(OC)c1C(=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H19N3O5/c1-23-11-4-3-5-12(24-2)14(11)15(21)18-7-6-10(9-18)19-13(20)8-17-16(19)22/h3-5,10H,6-9H2,1-2H3,(H,17,22)
InChIKeyFDRUJBWTKQFUBP-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.47
Rot. Bonds4

About 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159752) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159752
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(OC)c1C(=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H19N3O5/c1-23-11-4-3-5-12(24-2)14(11)15(21)18-7-6-10(9-18)19-13(20)8-17-16(19)22/h3-5,10H,6-9H2,1-2H3,(H,17,22)
InChIKeyFDRUJBWTKQFUBP-UHFFFAOYSA-N
XLogP0.47
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159925
3-[1-[3-(3-bromo-4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159819
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159693
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159746
3-[1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159899
3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121159517
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 81483168
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159752) is 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is COc1cccc(OC)c1C(=O)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is FDRUJBWTKQFUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-23-11-4-3-5-12(24-2)14(11)15(21)18-7-6-10(9-18)19-13(20)8-17-16(19)22/h3-5,10H,6-9H2,1-2H3,(H,17,22).
What are the key properties of 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 333.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).