(5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C30H33N3O4 — CID 25478161

About (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 25478161) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
• PubChem CID: 25478161
• Molecular Formula: C30H33N3O4
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.25
• IUPAC Name: (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
• SMILES: COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)N[C@](C)(CCc3ccccc3)C1=O)CC2
• InChI: InChI=1S/C30H33N3O4/c1-30(16-14-21-10-6-4-7-11-21)28(34)33(29(35)31-30)20-32-17-15-23-18-25(36-2)26(37-3)19-24(23)27(32)22-12-8-5-9-13-22/h4-13,18-19,27H,14-17,20H2,1-3H3,(H,31,35)/t27-,30+/m0/s1
• InChIKey: DHIKOVALJXLYPM-BHBYDHKZSA-N
• XLogP: 4.55
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	4.55
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 (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 25478161) is (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)N[C@](C)(CCc3ccccc3)C1=O)CC2.

What is the InChIKey of (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?

The InChIKey is DHIKOVALJXLYPM-BHBYDHKZSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-30(16-14-21-10-6-4-7-11-21)28(34)33(29(35)31-30)20-32-17-15-23-18-25(36-2)26(37-3)19-24(23)27(32)22-12-8-5-9-13-22/h4-13,18-19,27H,14-17,20H2,1-3H3,(H,31,35)/t27-,30+/m0/s1.

What are the key properties of (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?

(5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 499.61 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 25478161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).