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

C23H29N3O2 — CID 139526830

IUPAC1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1ccccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O
InChIInChI=1S/C23H29N3O2/c1-18-6-2-3-8-20(18)15-25-12-13-26(23(25)28)17-22(27)16-24-11-10-19-7-4-5-9-21(19)14-24/h2-9,22,27H,10-17H2,1H3
InChIKeyZVKLVILRBQJVIY-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.65
Rot. Bonds6

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

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 139526830) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
PubChem CID139526830
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1ccccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O
InChIInChI=1S/C23H29N3O2/c1-18-6-2-3-8-20(18)15-25-12-13-26(23(25)28)17-22(27)16-24-11-10-19-7-4-5-9-21(19)14-24/h2-9,22,27H,10-17H2,1H3
InChIKeyZVKLVILRBQJVIY-UHFFFAOYSA-N
XLogP2.65
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

US11365205, Example 39
CID 139526963
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
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
US11365205, Example 47
CID 139513285
US11365205, Example 44
CID 139526801
US11365205, Example 66
CID 139526832

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one (CID 139526830) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one is Cc1ccccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O.
What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is ZVKLVILRBQJVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-6-2-3-8-20(18)15-25-12-13-26(23(25)28)17-22(27)16-24-11-10-19-7-4-5-9-21(19)14-24/h2-9,22,27H,10-17H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 379.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139526830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).