3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C22H19FN2O4 — CID 51250107

IUPAC3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)c2cc1C
InChIInChI=1S/C22H19FN2O4/c1-12-8-17-14(10-19(26)29-18(17)9-13(12)2)11-25-20(27)22(3,24-21(25)28)15-4-6-16(23)7-5-15/h4-10H,11H2,1-3H3,(H,24,28)
InChIKeyLVDDXPCTEGDEEU-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.52
Rot. Bonds3

About 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 51250107) has the molecular formula C22H19FN2O4 and a molecular weight of 394.40 g/mol. Its IUPAC name is 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID51250107
Molecular FormulaC22H19FN2O4
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)c2cc1C
InChIInChI=1S/C22H19FN2O4/c1-12-8-17-14(10-19(26)29-18(17)9-13(12)2)11-25-20(27)22(3,24-21(25)28)15-4-6-16(23)7-5-15/h4-10H,11H2,1-3H3,(H,24,28)
InChIKeyLVDDXPCTEGDEEU-UHFFFAOYSA-N
XLogP3.52
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.52
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

(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
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288632
5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617699
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 56517853
5-(4-chlorophenyl)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 5032782
4-[(4R)-1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 93250967
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 78644009
4-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 87019513
3'-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 78539491
3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
CID 7181061

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 51250107) is 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is Cc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)c2cc1C.
What is the InChIKey of 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is LVDDXPCTEGDEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4/c1-12-8-17-14(10-19(26)29-18(17)9-13(12)2)11-25-20(27)22(3,24-21(25)28)15-4-6-16(23)7-5-15/h4-10H,11H2,1-3H3,(H,24,28).
What are the key properties of 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 394.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51250107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).