(5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C18H16N4O6 — CID 135673790

IUPAC(5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@@]2(C)NC(=O)N(/N=C/c3cc([N+](=O)[O-])ccc3O)C2=O)cc1
InChIInChI=1S/C18H16N4O6/c1-18(12-3-6-14(28-2)7-4-12)16(24)21(17(25)20-18)19-10-11-9-13(22(26)27)5-8-15(11)23/h3-10,23H,1-2H3,(H,20,25)/b19-10+/t18-/m1/s1
InChIKeyMYBTWMUUTDHLAW-HRYJJRBTSA-N
MW384.35 g/mol
LogP2.11
Rot. Bonds5

About (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 135673790) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID135673790
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name(5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@@]2(C)NC(=O)N(/N=C/c3cc([N+](=O)[O-])ccc3O)C2=O)cc1
InChIInChI=1S/C18H16N4O6/c1-18(12-3-6-14(28-2)7-4-12)16(24)21(17(25)20-18)19-10-11-9-13(22(26)27)5-8-15(11)23/h3-10,23H,1-2H3,(H,20,25)/b19-10+/t18-/m1/s1
InChIKeyMYBTWMUUTDHLAW-HRYJJRBTSA-N
XLogP2.11
TPSA134.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

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Related Compounds

5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
N-[4-[(E)-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 42995815
(5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673689
(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9260939
5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 42995827
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6512745
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7939348
(1R,2S,6S,7S)-4-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 135881389

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 135673790) is (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3cc([N+](=O)[O-])ccc3O)C2=O)cc1.
What is the InChIKey of (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is MYBTWMUUTDHLAW-HRYJJRBTSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-18(12-3-6-14(28-2)7-4-12)16(24)21(17(25)20-18)19-10-11-9-13(22(26)27)5-8-15(11)23/h3-10,23H,1-2H3,(H,20,25)/b19-10+/t18-/m1/s1.
What are the key properties of (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 384.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135673790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).