1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one

C26H33N5O3 — CID 174234025

About 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 174234025) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one
• PubChem CID: 174234025
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one
• SMILES: O=C1N(Cc2ccc(N3C4COCC3C4)nc2)CCN1CC(O)CN1CCc2ccccc2C1
• InChI: InChI=1S/C26H33N5O3/c32-24(15-28-8-7-20-3-1-2-4-21(20)14-28)16-30-10-9-29(26(30)33)13-19-5-6-25(27-12-19)31-22-11-23(31)18-34-17-22/h1-6,12,22-24,32H,7-11,13-18H2
• InChIKey: JSEPEVHNIDXWEL-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 72.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one?

The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one (CID 174234025) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one.

What is the SMILES notation for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one?

The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one is O=C1N(Cc2ccc(N3C4COCC3C4)nc2)CCN1CC(O)CN1CCc2ccccc2C1.

What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one?

The InChIKey is JSEPEVHNIDXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c32-24(15-28-8-7-20-3-1-2-4-21(20)14-28)16-30-10-9-29(26(30)33)13-19-5-6-25(27-12-19)31-22-11-23(31)18-34-17-22/h1-6,12,22-24,32H,7-11,13-18H2.

What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one?

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 463.58 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 174234025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).