ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol

C34H41FN4O5 — CID 143823623

About ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol

ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol (PubChem CID 143823623) has the molecular formula C34H41FN4O5 and a molecular weight of 604.72 g/mol. Its IUPAC name is ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol.

Molecular Properties

• Compound Name: ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol
• PubChem CID: 143823623
• Molecular Formula: C34H41FN4O5
• Molecular Weight: 604.72 g/mol
• Exact Mass: 604.31
• IUPAC Name: ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol
• SMILES: CC.CO.Cc1ccc(-c2nc(C(C(C)c3ccccc3)N3C(=O)N[C@H](c4ccc(OCCO)cc4)C3=O)[nH]c2C)c(F)c1
• InChI: InChI=1S/C31H31FN4O4.C2H6.CH4O/c1-18-9-14-24(25(32)17-18)26-20(3)33-29(34-26)28(19(2)21-7-5-4-6-8-21)36-30(38)27(35-31(36)39)22-10-12-23(13-11-22)40-16-15-37;2*1-2/h4-14,17,19,27-28,37H,15-16H2,1-3H3,(H,33,34)(H,35,39);1-2H3;2H,1H3/t19?,27-,28?;;/m1../s1
• InChIKey: SILLNADNHXEAQM-DZSIDEMWSA-N
• XLogP: 5.98
• TPSA: 127.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.72
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol?

The IUPAC name of ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol (CID 143823623) is ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol.

What is the SMILES notation for ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol?

The canonical SMILES for ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol is CC.CO.Cc1ccc(-c2nc(C(C(C)c3ccccc3)N3C(=O)N[C@H](c4ccc(OCCO)cc4)C3=O)[nH]c2C)c(F)c1.

What is the InChIKey of ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol?

The InChIKey is SILLNADNHXEAQM-DZSIDEMWSA-N. The full InChI is InChI=1S/C31H31FN4O4.C2H6.CH4O/c1-18-9-14-24(25(32)17-18)26-20(3)33-29(34-26)28(19(2)21-7-5-4-6-8-21)36-30(38)27(35-31(36)39)22-10-12-23(13-11-22)40-16-15-37;2*1-2/h4-14,17,19,27-28,37H,15-16H2,1-3H3,(H,33,34)(H,35,39);1-2H3;2H,1H3/t19?,27-,28?;;/m1../s1.

What are the key properties of ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol?

ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol has a molecular weight of 604.72 g/mol, XLogP of 5.98, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(5R)-3-[1-[4-(2-fluoro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione;methanol is sourced from PubChem (CID 143823623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).