1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one

C12H18N4O — CID 116978518

IUPAC1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one
SMILESCC(C)(N)CN1CC(c2ccccn2)NC1=O
InChIInChI=1S/C12H18N4O/c1-12(2,13)8-16-7-10(15-11(16)17)9-5-3-4-6-14-9/h3-6,10H,7-8,13H2,1-2H3,(H,15,17)
InChIKeyXDOCMMVDZWLHCU-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.89
Rot. Bonds3

About 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one

1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one (PubChem CID 116978518) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one
PubChem CID116978518
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one
SMILESCC(C)(N)CN1CC(c2ccccn2)NC1=O
InChIInChI=1S/C12H18N4O/c1-12(2,13)8-16-7-10(15-11(16)17)9-5-3-4-6-14-9/h3-6,10H,7-8,13H2,1-2H3,(H,15,17)
InChIKeyXDOCMMVDZWLHCU-UHFFFAOYSA-N
XLogP0.89
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one (CID 116978518) is 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one is CC(C)(N)CN1CC(c2ccccn2)NC1=O.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one?
The InChIKey is XDOCMMVDZWLHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2,13)8-16-7-10(15-11(16)17)9-5-3-4-6-14-9/h3-6,10H,7-8,13H2,1-2H3,(H,15,17).
What are the key properties of 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one?
1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one is sourced from PubChem (CID 116978518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).