3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione

C18H24FN3O2 — CID 47058227

IUPAC3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN2CCCC2c2cccc(F)c2)C1=O
InChIInChI=1S/C18H24FN3O2/c1-18(2)16(23)22(17(24)20-18)11-5-10-21-9-4-8-15(21)13-6-3-7-14(19)12-13/h3,6-7,12,15H,4-5,8-11H2,1-2H3,(H,20,24)
InChIKeyQVZRUAIKRNERLQ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.68
Rot. Bonds5

About 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 47058227) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID47058227
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN2CCCC2c2cccc(F)c2)C1=O
InChIInChI=1S/C18H24FN3O2/c1-18(2)16(23)22(17(24)20-18)11-5-10-21-9-4-8-15(21)13-6-3-7-14(19)12-13/h3,6-7,12,15H,4-5,8-11H2,1-2H3,(H,20,24)
InChIKeyQVZRUAIKRNERLQ-UHFFFAOYSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.68
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-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47057220
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120756565
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261
5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94178433
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
3-[3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 78898171
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
CID 56889121
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92615627
1-[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 56815905
3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione
CID 95048524
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 47058227) is 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCN2CCCC2c2cccc(F)c2)C1=O.
What is the InChIKey of 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QVZRUAIKRNERLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-18(2)16(23)22(17(24)20-18)11-5-10-21-9-4-8-15(21)13-6-3-7-14(19)12-13/h3,6-7,12,15H,4-5,8-11H2,1-2H3,(H,20,24).
What are the key properties of 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 333.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 47058227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).