(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid

C23H19BrN2O4 — CID 69163950

IUPAC(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H](c2ccc(Br)cc2OCc2ccccc2)NC(=O)N1c1ccccc1
InChIInChI=1S/C23H19BrN2O4/c24-16-11-12-18(19(13-16)30-14-15-7-3-1-4-8-15)20-21(22(27)28)26(23(29)25-20)17-9-5-2-6-10-17/h1-13,20-21H,14H2,(H,25,29)(H,27,28)/t20-,21-/m1/s1
InChIKeyUFYMKSPMJMYCBG-NHCUHLMSSA-N
MW467.32 g/mol
LogP4.75
Rot. Bonds6

About (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid

(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid (PubChem CID 69163950) has the molecular formula C23H19BrN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid
PubChem CID69163950
Molecular FormulaC23H19BrN2O4
Molecular Weight467.32 g/mol
Exact Mass466.05
IUPAC Name(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H](c2ccc(Br)cc2OCc2ccccc2)NC(=O)N1c1ccccc1
InChIInChI=1S/C23H19BrN2O4/c24-16-11-12-18(19(13-16)30-14-15-7-3-1-4-8-15)20-21(22(27)28)26(23(29)25-20)17-9-5-2-6-10-17/h1-13,20-21H,14H2,(H,25,29)(H,27,28)/t20-,21-/m1/s1
InChIKeyUFYMKSPMJMYCBG-NHCUHLMSSA-N
XLogP4.75
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid?
The IUPAC name of (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid (CID 69163950) is (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid?
The canonical SMILES for (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid is O=C(O)[C@H]1[C@@H](c2ccc(Br)cc2OCc2ccccc2)NC(=O)N1c1ccccc1.
What is the InChIKey of (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid?
The InChIKey is UFYMKSPMJMYCBG-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H19BrN2O4/c24-16-11-12-18(19(13-16)30-14-15-7-3-1-4-8-15)20-21(22(27)28)26(23(29)25-20)17-9-5-2-6-10-17/h1-13,20-21H,14H2,(H,25,29)(H,27,28)/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid?
(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid has a molecular weight of 467.32 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid is sourced from PubChem (CID 69163950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).