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

C24H21FN2O4 — CID 7181287

IUPAC(5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O
InChIInChI=1S/C24H21FN2O4/c1-2-24(17-6-8-18(25)9-7-17)22(29)27(23(30)26-24)13-16-12-21(28)31-20-11-15-5-3-4-14(15)10-19(16)20/h6-12H,2-5,13H2,1H3,(H,26,30)/t24-/m0/s1
InChIKeyGTSWVLZKSIHLNS-DEOSSOPVSA-N
MW420.44 g/mol
LogP3.78
Rot. Bonds4

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

(5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 7181287) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID7181287
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name(5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O
InChIInChI=1S/C24H21FN2O4/c1-2-24(17-6-8-18(25)9-7-17)22(29)27(23(30)26-24)13-16-12-21(28)31-20-11-15-5-3-4-14(15)10-19(16)20/h6-12H,2-5,13H2,1H3,(H,26,30)/t24-/m0/s1
InChIKeyGTSWVLZKSIHLNS-DEOSSOPVSA-N
XLogP3.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.78
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 (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione (CID 7181287) is (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is GTSWVLZKSIHLNS-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-2-24(17-6-8-18(25)9-7-17)22(29)27(23(30)26-24)13-16-12-21(28)31-20-11-15-5-3-4-14(15)10-19(16)20/h6-12H,2-5,13H2,1H3,(H,26,30)/t24-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 420.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7181287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).