(5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione

C28H24BrFN4O4 — CID 70991311

IUPAC(5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](c2ccc(OCCO)cc2)C(=O)N1C(Cc1ccccc1)c1ncc(-c2ccc(Br)c(F)c2)[nH]1
InChIInChI=1S/C28H24BrFN4O4/c29-21-11-8-19(15-22(21)30)23-16-31-26(32-23)24(14-17-4-2-1-3-5-17)34-27(36)25(33-28(34)37)18-6-9-20(10-7-18)38-13-12-35/h1-11,15-16,24-25,35H,12-14H2,(H,31,32)(H,33,37)/t24?,25-/m1/s1
InChIKeyOISBZOVJZCUFRP-WUBHUQEYSA-N
MW579.43 g/mol
LogP4.93
Rot. Bonds9

About (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione

(5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 70991311) has the molecular formula C28H24BrFN4O4 and a molecular weight of 579.43 g/mol. Its IUPAC name is (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID70991311
Molecular FormulaC28H24BrFN4O4
Molecular Weight579.43 g/mol
Exact Mass578.10
IUPAC Name(5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](c2ccc(OCCO)cc2)C(=O)N1C(Cc1ccccc1)c1ncc(-c2ccc(Br)c(F)c2)[nH]1
InChIInChI=1S/C28H24BrFN4O4/c29-21-11-8-19(15-22(21)30)23-16-31-26(32-23)24(14-17-4-2-1-3-5-17)34-27(36)25(33-28(34)37)18-6-9-20(10-7-18)38-13-12-35/h1-11,15-16,24-25,35H,12-14H2,(H,31,32)(H,33,37)/t24?,25-/m1/s1
InChIKeyOISBZOVJZCUFRP-WUBHUQEYSA-N
XLogP4.93
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.43
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione (CID 70991311) is (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione is O=C1N[C@H](c2ccc(OCCO)cc2)C(=O)N1C(Cc1ccccc1)c1ncc(-c2ccc(Br)c(F)c2)[nH]1.
What is the InChIKey of (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is OISBZOVJZCUFRP-WUBHUQEYSA-N. The full InChI is InChI=1S/C28H24BrFN4O4/c29-21-11-8-19(15-22(21)30)23-16-31-26(32-23)24(14-17-4-2-1-3-5-17)34-27(36)25(33-28(34)37)18-6-9-20(10-7-18)38-13-12-35/h1-11,15-16,24-25,35H,12-14H2,(H,31,32)(H,33,37)/t24?,25-/m1/s1.
What are the key properties of (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?
(5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 579.43 g/mol, XLogP of 4.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[1-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70991311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).