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

C25H33N3O2 — CID 139526838

IUPAC3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1ccc(CN2CC(C)(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C25H33N3O2/c1-19-8-10-20(11-9-19)14-27-18-25(2,3)28(24(27)30)17-23(29)16-26-13-12-21-6-4-5-7-22(21)15-26/h4-11,23,29H,12-18H2,1-3H3
InChIKeyHTZSSZPITIPXQB-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.43
Rot. Bonds6

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

3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 139526838) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one
PubChem CID139526838
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1ccc(CN2CC(C)(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C25H33N3O2/c1-19-8-10-20(11-9-19)14-27-18-25(2,3)28(24(27)30)17-23(29)16-26-13-12-21-6-4-5-7-22(21)15-26/h4-11,23,29H,12-18H2,1-3H3
InChIKeyHTZSSZPITIPXQB-UHFFFAOYSA-N
XLogP3.43
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one 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 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 37
CID 139526986
US11365205, Example 2
CID 139526990
US11365205, Example 24
CID 139526992

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one (CID 139526838) is 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one is Cc1ccc(CN2CC(C)(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1.
What is the InChIKey of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is HTZSSZPITIPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19-8-10-20(11-9-19)14-27-18-25(2,3)28(24(27)30)17-23(29)16-26-13-12-21-6-4-5-7-22(21)15-26/h4-11,23,29H,12-18H2,1-3H3.
What are the key properties of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one?
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 407.56 g/mol, XLogP of 3.43, 6 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]-4,4-dimethyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139526838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).