4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide

C23H28N4O3 — CID 139513285

IUPAC4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C23H28N4O3/c24-22(29)19-7-5-17(6-8-19)13-26-11-12-27(23(26)30)16-21(28)15-25-10-9-18-3-1-2-4-20(18)14-25/h1-8,21,28H,9-16H2,(H2,24,29)
InChIKeyDMXDXCYHUSCUIC-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.44
Rot. Bonds7

About 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide

4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 139513285) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide
PubChem CID139513285
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C23H28N4O3/c24-22(29)19-7-5-17(6-8-19)13-26-11-12-27(23(26)30)16-21(28)15-25-10-9-18-3-1-2-4-20(18)14-25/h1-8,21,28H,9-16H2,(H2,24,29)
InChIKeyDMXDXCYHUSCUIC-UHFFFAOYSA-N
XLogP1.44
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide (CID 139513285) is 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1.
What is the InChIKey of 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide?
The InChIKey is DMXDXCYHUSCUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c24-22(29)19-7-5-17(6-8-19)13-26-11-12-27(23(26)30)16-21(28)15-25-10-9-18-3-1-2-4-20(18)14-25/h1-8,21,28H,9-16H2,(H2,24,29).
What are the key properties of 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide?
4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 139513285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).