5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C23H24FN5O5 — CID 24565962

IUPAC5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O
InChIInChI=1S/C23H24FN5O5/c1-2-23(16-7-9-17(24)10-8-16)21(31)28(22(32)25-23)15-20(30)27-13-11-26(12-14-27)18-5-3-4-6-19(18)29(33)34/h3-10H,2,11-15H2,1H3,(H,25,32)
InChIKeyPVLJCJWSRWVYNX-UHFFFAOYSA-N
MW469.47 g/mol
LogP2.24
Rot. Bonds6

About 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 24565962) has the molecular formula C23H24FN5O5 and a molecular weight of 469.47 g/mol. Its IUPAC name is 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID24565962
Molecular FormulaC23H24FN5O5
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC Name5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O
InChIInChI=1S/C23H24FN5O5/c1-2-23(16-7-9-17(24)10-8-16)21(31)28(22(32)25-23)15-20(30)27-13-11-26(12-14-27)18-5-3-4-6-19(18)29(33)34/h3-10H,2,11-15H2,1H3,(H,25,32)
InChIKeyPVLJCJWSRWVYNX-UHFFFAOYSA-N
XLogP2.24
TPSA116.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767
5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 3943857
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 7181234
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9394991
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 24565962) is 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O.
What is the InChIKey of 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is PVLJCJWSRWVYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O5/c1-2-23(16-7-9-17(24)10-8-16)21(31)28(22(32)25-23)15-20(30)27-13-11-26(12-14-27)18-5-3-4-6-19(18)29(33)34/h3-10H,2,11-15H2,1H3,(H,25,32).
What are the key properties of 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 469.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24565962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).