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

C21H18N2O5 — CID 7242212

IUPAC(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc(=O)oc2c1
InChIInChI=1S/C21H18N2O5/c1-21(14-6-4-3-5-7-14)19(25)23(20(26)22-21)12-13-10-18(24)28-17-11-15(27-2)8-9-16(13)17/h3-11H,12H2,1-2H3,(H,22,26)/t21-/m1/s1
InChIKeyDQCOGCXDDNMECF-OAQYLSRUSA-N
MW378.38 g/mol
LogP2.77
Rot. Bonds4

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

(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 7242212) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID7242212
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc(=O)oc2c1
InChIInChI=1S/C21H18N2O5/c1-21(14-6-4-3-5-7-14)19(25)23(20(26)22-21)12-13-10-18(24)28-17-11-15(27-2)8-9-16(13)17/h3-11H,12H2,1-2H3,(H,22,26)/t21-/m1/s1
InChIKeyDQCOGCXDDNMECF-OAQYLSRUSA-N
XLogP2.77
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.77
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

5-(4-chlorophenyl)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 5032782
(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7179542
(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242253
(5R)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242252
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3886642
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250107
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 4019911
(4S)-3'-[(7-methoxy-2-oxochromen-4-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771802
1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7756897
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
CID 42933658

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 7242212) is (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is COc1ccc2c(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc(=O)oc2c1.
What is the InChIKey of (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is DQCOGCXDDNMECF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-21(14-6-4-3-5-7-14)19(25)23(20(26)22-21)12-13-10-18(24)28-17-11-15(27-2)8-9-16(13)17/h3-11H,12H2,1-2H3,(H,22,26)/t21-/m1/s1.
What are the key properties of (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 378.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7242212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).