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

C23H26N4O2 — CID 139527009

IUPAC4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C23H26N4O2/c24-13-18-5-7-19(8-6-18)14-26-11-12-27(23(26)29)17-22(28)16-25-10-9-20-3-1-2-4-21(20)15-25/h1-8,22,28H,9-12,14-17H2
InChIKeyBDOGXDDYLRSPFN-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.22
Rot. Bonds6

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

4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile (PubChem CID 139527009) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile
PubChem CID139527009
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C23H26N4O2/c24-13-18-5-7-19(8-6-18)14-26-11-12-27(23(26)29)17-22(28)16-25-10-9-20-3-1-2-4-21(20)15-25/h1-8,22,28H,9-12,14-17H2
InChIKeyBDOGXDDYLRSPFN-UHFFFAOYSA-N
XLogP2.22
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

US11365205, Example 39
CID 139526963
US11365205, Example 81
CID 139511485
US11365205, Example 100
CID 139513054
US11365205, Example 33
CID 139513107
US11365205, Example 15
CID 139513118
US11365205, Example 82
CID 139513131
US11365205, Example 80
CID 139513171
US11365205, Example 47
CID 139513285
US11365205, Example 44
CID 139526801
US11365205, Example 16
CID 139526830
US11365205, Example 5
CID 139526838
US11365205, Example 37
CID 139526986

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]benzonitrile?
The IUPAC name of 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile (CID 139527009) is 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile is N#Cc1ccc(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]benzonitrile?
The InChIKey is BDOGXDDYLRSPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-13-18-5-7-19(8-6-18)14-26-11-12-27(23(26)29)17-22(28)16-25-10-9-20-3-1-2-4-21(20)15-25/h1-8,22,28H,9-12,14-17H2.
What are the key properties of 4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile?
4-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]benzonitrile has a molecular weight of 390.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 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]benzonitrile is sourced from PubChem (CID 139527009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).