5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione

C22H18F2N2O4 — CID 78644009

IUPAC5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1ccc2c(CN3C(=O)NC(C)(c4cc(F)ccc4F)C3=O)cc(=O)oc2c1
InChIInChI=1S/C22H18F2N2O4/c1-3-12-4-6-15-13(9-19(27)30-18(15)8-12)11-26-20(28)22(2,25-21(26)29)16-10-14(23)5-7-17(16)24/h4-10H,3,11H2,1-2H3,(H,25,29)
InChIKeyQEFVOQRUOWQUBB-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.60
Rot. Bonds4

About 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione

5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 78644009) has the molecular formula C22H18F2N2O4 and a molecular weight of 412.39 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID78644009
Molecular FormulaC22H18F2N2O4
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1ccc2c(CN3C(=O)NC(C)(c4cc(F)ccc4F)C3=O)cc(=O)oc2c1
InChIInChI=1S/C22H18F2N2O4/c1-3-12-4-6-15-13(9-19(27)30-18(15)8-12)11-26-20(28)22(2,25-21(26)29)16-10-14(23)5-7-17(16)24/h4-10H,3,11H2,1-2H3,(H,25,29)
InChIKeyQEFVOQRUOWQUBB-UHFFFAOYSA-N
XLogP3.60
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 56517853
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250107
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7562098
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039
5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 51075953
5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 4019911
5-(4-chlorophenyl)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 5032782
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27687466
5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46815559

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 78644009) is 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione is CCc1ccc2c(CN3C(=O)NC(C)(c4cc(F)ccc4F)C3=O)cc(=O)oc2c1.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QEFVOQRUOWQUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4/c1-3-12-4-6-15-13(9-19(27)30-18(15)8-12)11-26-20(28)22(2,25-21(26)29)16-10-14(23)5-7-17(16)24/h4-10H,3,11H2,1-2H3,(H,25,29).
What are the key properties of 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 412.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 78644009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).