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

C29H33N3O2 — CID 139511485

IUPAC3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one
SMILESCc1ccc(CN2CC(c3ccccc3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C29H33N3O2/c1-22-11-13-23(14-12-22)17-31-21-28(25-8-3-2-4-9-25)32(29(31)34)20-27(33)19-30-16-15-24-7-5-6-10-26(24)18-30/h2-14,27-28,33H,15-21H2,1H3
InChIKeyRQKAFTSMUVCZHU-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.39
Rot. Bonds7

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

3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one (PubChem CID 139511485) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one
PubChem CID139511485
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one
SMILESCc1ccc(CN2CC(c3ccccc3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C29H33N3O2/c1-22-11-13-23(14-12-22)17-31-21-28(25-8-3-2-4-9-25)32(29(31)34)20-27(33)19-30-16-15-24-7-5-6-10-26(24)18-30/h2-14,27-28,33H,15-21H2,1H3
InChIKeyRQKAFTSMUVCZHU-UHFFFAOYSA-N
XLogP4.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

US11365205, Example 39
CID 139526963
US11365205, Example 100
CID 139513054
US11365205, Example 15
CID 139513118
US11365205, Example 80
CID 139513171
US11365205, Example 44
CID 139526801
US11365205, Example 16
CID 139526830
US11365205, Example 5
CID 139526838
US11365205, Example 37
CID 139526986
US11365205, Example 2
CID 139526990
US11365205, Example 24
CID 139526992
US11365205, Example 18
CID 139527009
US11365205, Example 20
CID 139527011

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one?
The IUPAC name of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one (CID 139511485) is 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one is Cc1ccc(CN2CC(c3ccccc3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1.
What is the InChIKey of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one?
The InChIKey is RQKAFTSMUVCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-22-11-13-23(14-12-22)17-31-21-28(25-8-3-2-4-9-25)32(29(31)34)20-27(33)19-30-16-15-24-7-5-6-10-26(24)18-30/h2-14,27-28,33H,15-21H2,1H3.
What are the key properties of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one?
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one has a molecular weight of 455.60 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-[(4-methylphenyl)methyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 139511485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).