1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one

C13H17N3O — CID 113296281

IUPAC1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H17N3O/c17-13-14-7-10-16(13)12-5-3-11(4-6-12)15-8-1-2-9-15/h3-6H,1-2,7-10H2,(H,14,17)
InChIKeyBFEQWBXEFWDIQB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.82
Rot. Bonds2

About 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one

1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one (PubChem CID 113296281) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
PubChem CID113296281
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H17N3O/c17-13-14-7-10-16(13)12-5-3-11(4-6-12)15-8-1-2-9-15/h3-6H,1-2,7-10H2,(H,14,17)
InChIKeyBFEQWBXEFWDIQB-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one (CID 113296281) is 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one is O=C1NCCN1c1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one?
The InChIKey is BFEQWBXEFWDIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13-14-7-10-16(13)12-5-3-11(4-6-12)15-8-1-2-9-15/h3-6H,1-2,7-10H2,(H,14,17).
What are the key properties of 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one?
1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one is sourced from PubChem (CID 113296281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).