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

C22H22ClN3O4 — CID 91638752

IUPAC(5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H22ClN3O4/c23-17-9-5-4-8-16(17)13-26-21(28)18(24-22(26)29)12-20(27)25-10-11-30-19(14-25)15-6-2-1-3-7-15/h1-9,18-19H,10-14H2,(H,24,29)/t18-,19?/m0/s1
InChIKeyBXKPNTSNIZNCMP-OYKVQYDMSA-N
MW427.89 g/mol
LogP2.75
Rot. Bonds5

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

(5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 91638752) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is (5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
PubChem CID91638752
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name(5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H22ClN3O4/c23-17-9-5-4-8-16(17)13-26-21(28)18(24-22(26)29)12-20(27)25-10-11-30-19(14-25)15-6-2-1-3-7-15/h1-9,18-19H,10-14H2,(H,24,29)/t18-,19?/m0/s1
InChIKeyBXKPNTSNIZNCMP-OYKVQYDMSA-N
XLogP2.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.75
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-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
CID 97489497
(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
(5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
CID 97496508
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
1-(2-phenylmorpholin-4-yl)-2-piperidin-3-ylethanone
CID 62676153
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-chloro-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 27375956
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 91823037
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione (CID 91638752) is (5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione is O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is BXKPNTSNIZNCMP-OYKVQYDMSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c23-17-9-5-4-8-16(17)13-26-21(28)18(24-22(26)29)12-20(27)25-10-11-30-19(14-25)15-6-2-1-3-7-15/h1-9,18-19H,10-14H2,(H,24,29)/t18-,19?/m0/s1.
What are the key properties of (5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
(5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 427.89 g/mol, XLogP of 2.75, 5 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-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91638752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).