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

C23H30N4O2 — CID 139526995

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

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-ethyl-3-pyridinyl)methyl]imidazolidin-2-one (PubChem CID 139526995) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-ethyl-3-pyridinyl)methyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-ethyl-3-pyridinyl)methyl]imidazolidin-2-one
• PubChem CID: 139526995
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-ethyl-3-pyridinyl)methyl]imidazolidin-2-one
• SMILES: CCc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
• InChI: InChI=1S/C23H30N4O2/c1-2-21-8-7-18(13-24-21)14-26-11-12-27(23(26)29)17-22(28)16-25-10-9-19-5-3-4-6-20(19)15-25/h3-8,13,22,28H,2,9-12,14-17H2,1H3
• InChIKey: KBSUXGRHIVYNIN-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 59.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-ethyl-3-pyridinyl)methyl]imidazolidin-2-one (CID 139526995) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-ethyl-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-ethyl-3-pyridinyl)methyl]imidazolidin-2-one?

The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-ethyl-3-pyridinyl)methyl]imidazolidin-2-one is CCc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1.

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

The InChIKey is KBSUXGRHIVYNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-2-21-8-7-18(13-24-21)14-26-11-12-27(23(26)29)17-22(28)16-25-10-9-19-5-3-4-6-20(19)15-25/h3-8,13,22,28H,2,9-12,14-17H2,1H3.

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

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-ethyl-3-pyridinyl)methyl]imidazolidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-ethyl-3-pyridinyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139526995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).