3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione

C15H19N3O2 — CID 80578980

IUPAC3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione
SMILESNCc1ccc(N2C(=O)CN(C3CCCC3)C2=O)cc1
InChIInChI=1S/C15H19N3O2/c16-9-11-5-7-13(8-6-11)18-14(19)10-17(15(18)20)12-3-1-2-4-12/h5-8,12H,1-4,9-10,16H2
InChIKeyYCKMMQLHMGAXEW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.86
Rot. Bonds3

About 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione

3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione (PubChem CID 80578980) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione
PubChem CID80578980
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione
SMILESNCc1ccc(N2C(=O)CN(C3CCCC3)C2=O)cc1
InChIInChI=1S/C15H19N3O2/c16-9-11-5-7-13(8-6-11)18-14(19)10-17(15(18)20)12-3-1-2-4-12/h5-8,12H,1-4,9-10,16H2
InChIKeyYCKMMQLHMGAXEW-UHFFFAOYSA-N
XLogP1.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione (CID 80578980) is 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione is NCc1ccc(N2C(=O)CN(C3CCCC3)C2=O)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione?
The InChIKey is YCKMMQLHMGAXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-9-11-5-7-13(8-6-11)18-14(19)10-17(15(18)20)12-3-1-2-4-12/h5-8,12H,1-4,9-10,16H2.
What are the key properties of 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione?
3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione is sourced from PubChem (CID 80578980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).