(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione

C16H14N2O4 — CID 696750

IUPAC(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc2ccc(OC)c(/C=C3/NC(=O)NC3=O)c2c1
InChIInChI=1S/C16H14N2O4/c1-21-10-5-3-9-4-6-14(22-2)12(11(9)7-10)8-13-15(19)18-16(20)17-13/h3-8H,1-2H3,(H2,17,18,19,20)/b13-8+
InChIKeyCDWBZEYYFWOBNH-MDWZMJQESA-N
MW298.30 g/mol
LogP2.04
Rot. Bonds3

About (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 696750) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
PubChem CID696750
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc2ccc(OC)c(/C=C3/NC(=O)NC3=O)c2c1
InChIInChI=1S/C16H14N2O4/c1-21-10-5-3-9-4-6-14(22-2)12(11(9)7-10)8-13-15(19)18-16(20)17-13/h3-8H,1-2H3,(H2,17,18,19,20)/b13-8+
InChIKeyCDWBZEYYFWOBNH-MDWZMJQESA-N
XLogP2.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21214614
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2271864
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912531
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3969795
N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137131200
(5E)-1-(3,4-dichlorophenyl)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 40988848
1-(2,3-dichlorophenyl)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1347170
N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide
CID 71533431
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione (CID 696750) is (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione is COc1ccc2ccc(OC)c(/C=C3/NC(=O)NC3=O)c2c1.
What is the InChIKey of (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is CDWBZEYYFWOBNH-MDWZMJQESA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-10-5-3-9-4-6-14(22-2)12(11(9)7-10)8-13-15(19)18-16(20)17-13/h3-8H,1-2H3,(H2,17,18,19,20)/b13-8+.
What are the key properties of (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 696750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).