5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione

C23H18F2N2O4 — CID 17405811

IUPAC5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O
InChIInChI=1S/C23H18F2N2O4/c1-23(17-10-15(24)5-6-18(17)25)21(29)27(22(30)26-23)11-14-9-20(28)31-19-8-13-4-2-3-12(13)7-16(14)19/h5-10H,2-4,11H2,1H3,(H,26,30)
InChIKeyFGNWCNXPEHXQOG-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.53
Rot. Bonds3

About 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione

5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 17405811) has the molecular formula C23H18F2N2O4 and a molecular weight of 424.40 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID17405811
Molecular FormulaC23H18F2N2O4
Molecular Weight424.40 g/mol
Exact Mass424.12
IUPAC Name5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O
InChIInChI=1S/C23H18F2N2O4/c1-23(17-10-15(24)5-6-18(17)25)21(29)27(22(30)26-23)11-14-9-20(28)31-19-8-13-4-2-3-12(13)7-16(14)19/h5-10H,2-4,11H2,1H3,(H,26,30)
InChIKeyFGNWCNXPEHXQOG-UHFFFAOYSA-N
XLogP3.53
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.53
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'}

Analyze 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione (CID 17405811) is 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione is CC1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O.
What is the InChIKey of 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is FGNWCNXPEHXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O4/c1-23(17-10-15(24)5-6-18(17)25)21(29)27(22(30)26-23)11-14-9-20(28)31-19-8-13-4-2-3-12(13)7-16(14)19/h5-10H,2-4,11H2,1H3,(H,26,30).
What are the key properties of 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 424.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-5-methyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 17405811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).