1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione

C14H11N3O3 — CID 135788210

IUPAC1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2c(O)ccc3ccccc23)C(=O)N1
InChIInChI=1S/C14H11N3O3/c18-12-6-5-9-3-1-2-4-10(9)11(12)7-15-17-8-13(19)16-14(17)20/h1-7,18H,8H2,(H,16,19,20)/b15-7+
InChIKeyKFVWSRGRXKSWNO-VIZOYTHASA-N
MW269.26 g/mol
LogP1.43
Rot. Bonds2

About 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione

1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 135788210) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione
PubChem CID135788210
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2c(O)ccc3ccccc23)C(=O)N1
InChIInChI=1S/C14H11N3O3/c18-12-6-5-9-3-1-2-4-10(9)11(12)7-15-17-8-13(19)16-14(17)20/h1-7,18H,8H2,(H,16,19,20)/b15-7+
InChIKeyKFVWSRGRXKSWNO-VIZOYTHASA-N
XLogP1.43
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
N'-[(2-hydroxy-1-naphthyl)methylene]-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135438745
N-ethyl-2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoacetamide
CID 135588554
[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422187
[2-[(2E)-2-[(2-hydroxy-1-naphthyl)methylene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium
CID 135488964
5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135606447
N'-((2-hydroxy-1-naphthyl)methylene)-2-(trimethyl-5-azanyl)acetohydrazide
CID 414828
1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 163230366
1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 170688060
2-Hydroxy-1-naphthaldehyde (5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135412112
[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 135422188
[2-[2-[(2-Hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 137235035

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione (CID 135788210) is 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione is O=C1CN(/N=C/c2c(O)ccc3ccccc23)C(=O)N1.
What is the InChIKey of 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is KFVWSRGRXKSWNO-VIZOYTHASA-N. The full InChI is InChI=1S/C14H11N3O3/c18-12-6-5-9-3-1-2-4-10(9)11(12)7-15-17-8-13(19)16-14(17)20/h1-7,18H,8H2,(H,16,19,20)/b15-7+.
What are the key properties of 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione?
1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 135788210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).