1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one

C22H27N3O2 — CID 139527011

IUPAC1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccccc2)CCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C22H27N3O2/c26-21(16-23-11-10-19-8-4-5-9-20(19)15-23)17-25-13-12-24(22(25)27)14-18-6-2-1-3-7-18/h1-9,21,26H,10-17H2
InChIKeyHKBQNABAQHHROL-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.34
Rot. Bonds6

About 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one

1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one (PubChem CID 139527011) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
PubChem CID139527011
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccccc2)CCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C22H27N3O2/c26-21(16-23-11-10-19-8-4-5-9-20(19)15-23)17-25-13-12-24(22(25)27)14-18-6-2-1-3-7-18/h1-9,21,26H,10-17H2
InChIKeyHKBQNABAQHHROL-UHFFFAOYSA-N
XLogP2.34
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 11144455
US11365205, Example 39
CID 139526963
US11485731, Example 1BU
CID 142428207
4-acetyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazin-2-one
CID 76684722
4-benzyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazin-2-one
CID 76684725
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide
CID 90328725
US11485731, Example 1BF
CID 142428361
US11365205, Example 81
CID 139511485
US11365205, Example 100
CID 139513054
US11365205, Example 15
CID 139513118
US11365205, Example 82
CID 139513131
US11365205, Example 80
CID 139513171

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one (CID 139527011) is 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one is O=C1N(Cc2ccccc2)CCN1CC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?
The InChIKey is HKBQNABAQHHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(16-23-11-10-19-8-4-5-9-20(19)15-23)17-25-13-12-24(22(25)27)14-18-6-2-1-3-7-18/h1-9,21,26H,10-17H2.
What are the key properties of 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?
1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one is sourced from PubChem (CID 139527011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).