(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione

C22H20N2O5 — CID 7179542

IUPAC(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(OC)ccc23)C1=O
InChIInChI=1S/C22H20N2O5/c1-3-22(15-7-5-4-6-8-15)20(26)24(21(27)23-22)13-14-11-19(25)29-18-12-16(28-2)9-10-17(14)18/h4-12H,3,13H2,1-2H3,(H,23,27)/t22-/m1/s1
InChIKeyHDBYCQXCNYJMKH-JOCHJYFZSA-N
MW392.41 g/mol
LogP3.16
Rot. Bonds5

About (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione

(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 7179542) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID7179542
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(OC)ccc23)C1=O
InChIInChI=1S/C22H20N2O5/c1-3-22(15-7-5-4-6-8-15)20(26)24(21(27)23-22)13-14-11-19(25)29-18-12-16(28-2)9-10-17(14)18/h4-12H,3,13H2,1-2H3,(H,23,27)/t22-/m1/s1
InChIKeyHDBYCQXCNYJMKH-JOCHJYFZSA-N
XLogP3.16
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3886642
5-(4-chlorophenyl)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 5032782
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
(4S)-3'-[(7-methoxy-2-oxochromen-4-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771802
(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571287
1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7756897
5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 4301529
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309926
(5R)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242252
(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242253

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 7179542) is (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(OC)ccc23)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is HDBYCQXCNYJMKH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-3-22(15-7-5-4-6-8-15)20(26)24(21(27)23-22)13-14-11-19(25)29-18-12-16(28-2)9-10-17(14)18/h4-12H,3,13H2,1-2H3,(H,23,27)/t22-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione?
(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 392.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7179542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).