methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate

C24H21BrN2O4 — CID 91589926

IUPACmethyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2OCc2ccccc2)NC(=O)N1c1ccccc1
InChIInChI=1S/C24H21BrN2O4/c1-30-23(28)22-21(26-24(29)27(22)18-10-6-3-7-11-18)19-13-12-17(25)14-20(19)31-15-16-8-4-2-5-9-16/h2-14,21-22H,15H2,1H3,(H,26,29)/t21-,22-/m1/s1
InChIKeyIEFYKKLRYCZNGR-FGZHOGPDSA-N
MW481.35 g/mol
LogP4.84
Rot. Bonds6

About methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate

methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate (PubChem CID 91589926) has the molecular formula C24H21BrN2O4 and a molecular weight of 481.35 g/mol. Its IUPAC name is methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate
PubChem CID91589926
Molecular FormulaC24H21BrN2O4
Molecular Weight481.35 g/mol
Exact Mass480.07
IUPAC Namemethyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2OCc2ccccc2)NC(=O)N1c1ccccc1
InChIInChI=1S/C24H21BrN2O4/c1-30-23(28)22-21(26-24(29)27(22)18-10-6-3-7-11-18)19-13-12-17(25)14-20(19)31-15-16-8-4-2-5-9-16/h2-14,21-22H,15H2,1H3,(H,26,29)/t21-,22-/m1/s1
InChIKeyIEFYKKLRYCZNGR-FGZHOGPDSA-N
XLogP4.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid
CID 69163950
5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 143651914
4-(4-bromo-2-phenylmethoxyphenyl)-3-methyl-1-phenylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143676086
(3R,4S)-4-(4-bromo-2-phenylmethoxyphenyl)-3-[(3S)-3-hydroxy-3-(4-methylphenyl)propyl]-1-phenylazetidin-2-one
CID 59782005
4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
CID 143652087
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 139636777
3-(4-bromophenyl)-2-[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]-1,2-dihydroquinazolin-4-one
CID 19576429
4-bromo-1-methylsulfonyl-2-phenylmethoxybenzene
CID 75487824
methyl 5-bromo-2-ethoxy-4-phenylmethoxybenzoate;methyl 5-cyclopropyl-2-ethoxy-4-phenylmethoxybenzoate
CID 159523524
4-(5-bromo-2-phenylmethoxyphenyl)-N-ethyl-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 143534675
3-(4-bromo-2-phenylmethoxyanilino)-4-methoxy-4-oxobut-2-enoate
CID 86607205

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate?
The IUPAC name of methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate (CID 91589926) is methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate is COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2OCc2ccccc2)NC(=O)N1c1ccccc1.
What is the InChIKey of methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate?
The InChIKey is IEFYKKLRYCZNGR-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H21BrN2O4/c1-30-23(28)22-21(26-24(29)27(22)18-10-6-3-7-11-18)19-13-12-17(25)14-20(19)31-15-16-8-4-2-5-9-16/h2-14,21-22H,15H2,1H3,(H,26,29)/t21-,22-/m1/s1.
What are the key properties of methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate?
methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate has a molecular weight of 481.35 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate is sourced from PubChem (CID 91589926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).