3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione

C21H18N2O5 — CID 42933658

IUPAC3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(CN3C(=O)C(C)N(c4ccccc4)C3=O)cc(=O)oc2c1
InChIInChI=1S/C21H18N2O5/c1-13-20(25)22(21(26)23(13)15-6-4-3-5-7-15)12-14-10-19(24)28-18-11-16(27-2)8-9-17(14)18/h3-11,13H,12H2,1-2H3
InChIKeyZGOQMUILQBZFHI-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.16
Rot. Bonds4

About 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione

3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione (PubChem CID 42933658) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
PubChem CID42933658
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(CN3C(=O)C(C)N(c4ccccc4)C3=O)cc(=O)oc2c1
InChIInChI=1S/C21H18N2O5/c1-13-20(25)22(21(26)23(13)15-6-4-3-5-7-15)12-14-10-19(24)28-18-11-16(27-2)8-9-17(14)18/h3-11,13H,12H2,1-2H3
InChIKeyZGOQMUILQBZFHI-UHFFFAOYSA-N
XLogP3.16
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
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

1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7756897
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7179542
4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3886642
7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
CID 3570603
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
CID 11151459
(7-methoxy-2-oxochromen-4-yl)methyl-[(1R)-1-phenylethyl]azanium
CID 2714020
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate
CID 4544422

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione (CID 42933658) is 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione is COc1ccc2c(CN3C(=O)C(C)N(c4ccccc4)C3=O)cc(=O)oc2c1.
What is the InChIKey of 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is ZGOQMUILQBZFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-13-20(25)22(21(26)23(13)15-6-4-3-5-7-15)12-14-10-19(24)28-18-11-16(27-2)8-9-17(14)18/h3-11,13H,12H2,1-2H3.
What are the key properties of 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione?
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 378.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 42933658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).