5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione

C32H28N6O6 — CID 57283055

IUPAC5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(/N=C(\c3ccc(CCN4CCCCC4=O)cc3)C3C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)N1
InChIInChI=1S/C32H28N6O6/c39-27-3-1-2-15-37(27)16-14-19-4-8-21(9-5-19)29(28-24-18-23(38(43)44)12-13-25(24)34-31(28)41)33-22-10-6-20(7-11-22)17-26-30(40)36-32(42)35-26/h4-13,17-18,28H,1-3,14-16H2,(H,34,41)(H2,35,36,40,42)/b26-17?,33-29+
InChIKeyHLPUCPYUSONCTJ-RYYDORMZSA-N
MW592.61 g/mol
LogP4.19
Rot. Bonds8

About 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione

5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 57283055) has the molecular formula C32H28N6O6 and a molecular weight of 592.61 g/mol. Its IUPAC name is 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID57283055
Molecular FormulaC32H28N6O6
Molecular Weight592.61 g/mol
Exact Mass592.21
IUPAC Name5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(/N=C(\c3ccc(CCN4CCCCC4=O)cc3)C3C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)N1
InChIInChI=1S/C32H28N6O6/c39-27-3-1-2-15-37(27)16-14-19-4-8-21(9-5-19)29(28-24-18-23(38(43)44)12-13-25(24)34-31(28)41)33-22-10-6-20(7-11-22)17-26-30(40)36-32(42)35-26/h4-13,17-18,28H,1-3,14-16H2,(H,34,41)(H2,35,36,40,42)/b26-17?,33-29+
InChIKeyHLPUCPYUSONCTJ-RYYDORMZSA-N
XLogP4.19
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.61
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione
CID 57147635
5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione
CID 57142336
5-[[4-[[[4-(2-aminoethyl)phenyl]-(5-nitro-2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione
CID 56993529
5-nitro-3-[N-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 57071582
3-[N-[4-(2-ethyl-1H-imidazol-5-yl)phenyl]-C-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]phenyl]carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 57160182
5-nitro-3-[N-[4-(pyrrolidin-1-ylmethyl)phenyl]-C-[4-(3-pyrrolidin-1-ylpropyl)phenyl]carbonimidoyl]-1,3-dihydroindol-2-one
CID 57079815
5-nitro-3-[C-[4-(2-piperidin-1-ylethyl)phenyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)carbonimidoyl]-1,3-dihydroindol-2-one
CID 57042693
3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-[4-(2-pyrrolidin-1-ylethyl)phenyl]carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 57059222
3-[N-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)-C-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 57193177
3-[N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]-C-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 57088229
3-[C-[4-(2-aminoethyl)phenyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 57045150
3-[N-[4-[(dimethylamino)methyl]phenyl]-C-(4-methylphenyl)carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 90941067

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione (CID 57283055) is 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(/N=C(\c3ccc(CCN4CCCCC4=O)cc3)C3C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)N1.
What is the InChIKey of 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is HLPUCPYUSONCTJ-RYYDORMZSA-N. The full InChI is InChI=1S/C32H28N6O6/c39-27-3-1-2-15-37(27)16-14-19-4-8-21(9-5-19)29(28-24-18-23(38(43)44)12-13-25(24)34-31(28)41)33-22-10-6-20(7-11-22)17-26-30(40)36-32(42)35-26/h4-13,17-18,28H,1-3,14-16H2,(H,34,41)(H2,35,36,40,42)/b26-17?,33-29+.
What are the key properties of 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione?
5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 592.61 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-[4-[2-(2-oxopiperidin-1-yl)ethyl]phenyl]methylidene]amino]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 57283055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).