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

C23H21FN2O4 — CID 4815247

IUPAC3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1=O
InChIInChI=1S/C23H21FN2O4/c1-4-23(16-5-7-17(24)8-6-16)21(28)26(22(29)25-23)12-15-11-20(27)30-19-10-14(3)13(2)9-18(15)19/h5-11H,4,12H2,1-3H3,(H,25,29)
InChIKeyOCAOSQZMNLYBJZ-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.91
Rot. Bonds4

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

3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 4815247) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID4815247
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1=O
InChIInChI=1S/C23H21FN2O4/c1-4-23(16-5-7-17(24)8-6-16)21(28)26(22(29)25-23)12-15-11-20(27)30-19-10-14(3)13(2)9-18(15)19/h5-11H,4,12H2,1-3H3,(H,25,29)
InChIKeyOCAOSQZMNLYBJZ-UHFFFAOYSA-N
XLogP3.91
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 4815247) is 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1=O.
What is the InChIKey of 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is OCAOSQZMNLYBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-4-23(16-5-7-17(24)8-6-16)21(28)26(22(29)25-23)12-15-11-20(27)30-19-10-14(3)13(2)9-18(15)19/h5-11H,4,12H2,1-3H3,(H,25,29).
What are the key properties of 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 408.43 g/mol, XLogP of 3.91, 4 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-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4815247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).