4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate

C18H15N4O5- — CID 9297096

IUPAC4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C18H16N4O5/c1-2-18(13-6-4-3-5-7-13)16(24)21(17(25)20-18)19-11-12-8-9-15(23)14(10-12)22(26)27/h3-11,23H,2H2,1H3,(H,20,25)/p-1/b19-11-/t18-/m0/s1
InChIKeyOWGALJILOUQPSC-FUDBJYBQSA-M
MW367.34 g/mol
LogP1.86
Rot. Bonds5

About 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate

4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate (PubChem CID 9297096) has the molecular formula C18H15N4O5- and a molecular weight of 367.34 g/mol. Its IUPAC name is 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate.

Molecular Properties

Compound Name4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
PubChem CID9297096
Molecular FormulaC18H15N4O5-
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C18H16N4O5/c1-2-18(13-6-4-3-5-7-13)16(24)21(17(25)20-18)19-11-12-8-9-15(23)14(10-12)22(26)27/h3-11,23H,2H2,1H3,(H,20,25)/p-1/b19-11-/t18-/m0/s1
InChIKeyOWGALJILOUQPSC-FUDBJYBQSA-M
XLogP1.86
TPSA127.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 135800304
(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5S)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296878
(5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione
CID 9296744
(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297392
(5R)-3-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297167
(5R)-3-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349922
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
(5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673689
(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296516
(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297483
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate?
The IUPAC name of 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate (CID 9297096) is 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate.
What is the SMILES notation for 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate?
The canonical SMILES for 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate is CC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate?
The InChIKey is OWGALJILOUQPSC-FUDBJYBQSA-M. The full InChI is InChI=1S/C18H16N4O5/c1-2-18(13-6-4-3-5-7-13)16(24)21(17(25)20-18)19-11-12-8-9-15(23)14(10-12)22(26)27/h3-11,23H,2H2,1H3,(H,20,25)/p-1/b19-11-/t18-/m0/s1.
What are the key properties of 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate?
4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate has a molecular weight of 367.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate is sourced from PubChem (CID 9297096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).