1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione

C24H27F3N4O3 — CID 139527166

About 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 139527166) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione
• PubChem CID: 139527166
• Molecular Formula: C24H27F3N4O3
• Molecular Weight: 476.50 g/mol
• Exact Mass: 476.20
• IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)N(Cc2ccc(C(F)(F)F)cn2)C(=O)N1CC(O)CN1CCc2ccccc2C1
• InChI: InChI=1S/C24H27F3N4O3/c1-23(2)21(33)30(13-19-8-7-18(11-28-19)24(25,26)27)22(34)31(23)15-20(32)14-29-10-9-16-5-3-4-6-17(16)12-29/h3-8,11,20,32H,9-10,12-15H2,1-2H3
• InChIKey: SIGQGKORMNWSFE-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.50
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione (CID 139527166) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione is CC1(C)C(=O)N(Cc2ccc(C(F)(F)F)cn2)C(=O)N1CC(O)CN1CCc2ccccc2C1.

What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione?

The InChIKey is SIGQGKORMNWSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-23(2)21(33)30(13-19-8-7-18(11-28-19)24(25,26)27)22(34)31(23)15-20(32)14-29-10-9-16-5-3-4-6-17(16)12-29/h3-8,11,20,32H,9-10,12-15H2,1-2H3.

What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione?

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 476.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,5-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 139527166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).