(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione

C23H24ClN3O4 — CID 97489497

IUPAC(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H24ClN3O4/c24-18-9-5-4-8-17(18)14-27-22(29)19(25-23(27)30)10-11-21(28)26-12-13-31-20(15-26)16-6-2-1-3-7-16/h1-9,19-20H,10-15H2,(H,25,30)/t19-,20+/m0/s1
InChIKeyAJEZDHWBAVVFQI-VQTJNVASSA-N
MW441.92 g/mol
LogP3.14
Rot. Bonds6

About (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione

(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione (PubChem CID 97489497) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
PubChem CID97489497
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H24ClN3O4/c24-18-9-5-4-8-17(18)14-27-22(29)19(25-23(27)30)10-11-21(28)26-12-13-31-20(15-26)16-6-2-1-3-7-16/h1-9,19-20H,10-15H2,(H,25,30)/t19-,20+/m0/s1
InChIKeyAJEZDHWBAVVFQI-VQTJNVASSA-N
XLogP3.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 91638752
(5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
CID 97496508
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523
(5S)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 91640441
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134067569
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 91823594
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 97496369

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione (CID 97489497) is (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione is O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is AJEZDHWBAVVFQI-VQTJNVASSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c24-18-9-5-4-8-17(18)14-27-22(29)19(25-23(27)30)10-11-21(28)26-12-13-31-20(15-26)16-6-2-1-3-7-16/h1-9,19-20H,10-15H2,(H,25,30)/t19-,20+/m0/s1.
What are the key properties of (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione?
(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 441.92 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97489497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).