1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one

C15H21N3O — CID 116979289

IUPAC1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one
SMILESNCc1cccc(N2CC(C3CCCC3)NC2=O)c1
InChIInChI=1S/C15H21N3O/c16-9-11-4-3-7-13(8-11)18-10-14(17-15(18)19)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10,16H2,(H,17,19)
InChIKeyZMAFOINTWFCLIY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.23
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one

1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one (PubChem CID 116979289) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one
PubChem CID116979289
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one
SMILESNCc1cccc(N2CC(C3CCCC3)NC2=O)c1
InChIInChI=1S/C15H21N3O/c16-9-11-4-3-7-13(8-11)18-10-14(17-15(18)19)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10,16H2,(H,17,19)
InChIKeyZMAFOINTWFCLIY-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one (CID 116979289) is 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one is NCc1cccc(N2CC(C3CCCC3)NC2=O)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one?
The InChIKey is ZMAFOINTWFCLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-9-11-4-3-7-13(8-11)18-10-14(17-15(18)19)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10,16H2,(H,17,19).
What are the key properties of 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one?
1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one is sourced from PubChem (CID 116979289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).