5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione

C13H15N3O2 — CID 70596915

IUPAC5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(N3CCCC3)cc2)N1
InChIInChI=1S/C13H15N3O2/c17-12-11(14-13(18)15-12)9-3-5-10(6-4-9)16-7-1-2-8-16/h3-6,11H,1-2,7-8H2,(H2,14,15,17,18)
InChIKeyOKNPTSQFUGQWQD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.17
Rot. Bonds2

About 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione

5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione (PubChem CID 70596915) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione
PubChem CID70596915
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(N3CCCC3)cc2)N1
InChIInChI=1S/C13H15N3O2/c17-12-11(14-13(18)15-12)9-3-5-10(6-4-9)16-7-1-2-8-16/h3-6,11H,1-2,7-8H2,(H2,14,15,17,18)
InChIKeyOKNPTSQFUGQWQD-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 171252661
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
CID 99773063
methyl 6-butyl-2-oxo-4-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843065
3,5-dimethyl-4-(4-pyrrolidin-1-ylphenyl)piperazine-2,6-dione
CID 82346642
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596470
methyl (4S)-6-methyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7777417

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione (CID 70596915) is 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2ccc(N3CCCC3)cc2)N1.
What is the InChIKey of 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is OKNPTSQFUGQWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-11(14-13(18)15-12)9-3-5-10(6-4-9)16-7-1-2-8-16/h3-6,11H,1-2,7-8H2,(H2,14,15,17,18).
What are the key properties of 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione?
5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70596915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).