(5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione

C18H16N4O6 — CID 135673689

IUPAC(5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N\N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O
InChIInChI=1S/C18H16N4O6/c1-18(12-6-4-3-5-7-12)16(24)21(17(25)20-18)19-10-11-8-13(22(26)27)15(23)14(9-11)28-2/h3-10,23H,1-2H3,(H,20,25)/b19-10-/t18-/m1/s1
InChIKeyHMADBOFFGCRCMX-HSNFWNHWSA-N
MW384.35 g/mol
LogP2.11
Rot. Bonds5

About (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 135673689) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID135673689
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name(5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N\N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O
InChIInChI=1S/C18H16N4O6/c1-18(12-6-4-3-5-7-12)16(24)21(17(25)20-18)19-10-11-8-13(22(26)27)15(23)14(9-11)28-2/h3-10,23H,1-2H3,(H,20,25)/b19-10-/t18-/m1/s1
InChIKeyHMADBOFFGCRCMX-HSNFWNHWSA-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_B(215)', '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

(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
2-methoxy-4-[(Z)-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]iminomethyl]-6-nitrophenolate
CID 9349944
4-[(2-amino-4-phenylimidazol-1-yl)iminomethyl]-2-methoxy-6-nitrophenol
CID 135618794
(E)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 135617979
(5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135673790
(4Z)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]isoquinoline-1,3-dione
CID 47013723
1-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 135552116
4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
CID 9297096
3-[(4-chloro-3-nitrophenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 4831250
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
3-(2-ethoxyphenyl)-4-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 136873969
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide
CID 136844919

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 135673689) is (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione is COc1cc(/C=N\N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O.
What is the InChIKey of (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is HMADBOFFGCRCMX-HSNFWNHWSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-18(12-6-4-3-5-7-12)16(24)21(17(25)20-18)19-10-11-8-13(22(26)27)15(23)14(9-11)28-2/h3-10,23H,1-2H3,(H,20,25)/b19-10-/t18-/m1/s1.
What are the key properties of (5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-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-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 135673689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).