5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione

C16H14N2O3 — CID 139888147

IUPAC5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccc2ccccc2c1C=C1C(=O)NC(=O)N1C
InChIInChI=1S/C16H14N2O3/c1-18-13(15(19)17-16(18)20)9-12-11-6-4-3-5-10(11)7-8-14(12)21-2/h3-9H,1-2H3,(H,17,19,20)
InChIKeyDTQYQRALRHMMQC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.37
Rot. Bonds2

About 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione

5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione (PubChem CID 139888147) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione
PubChem CID139888147
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccc2ccccc2c1C=C1C(=O)NC(=O)N1C
InChIInChI=1S/C16H14N2O3/c1-18-13(15(19)17-16(18)20)9-12-11-6-4-3-5-10(11)7-8-14(12)21-2/h3-9H,1-2H3,(H,17,19,20)
InChIKeyDTQYQRALRHMMQC-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2201874
(5Z)-1-(2-fluorophenyl)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1337491
(5Z)-1-(3,5-dimethylphenyl)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6104871
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2304825
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2201966
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 126025178
1-(4-chlorophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]pyrazolidine-3,5-dione
CID 3095370
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154406
2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
CID 5404063
5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91164712
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126245605
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403838

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione (CID 139888147) is 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione is COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N1C.
What is the InChIKey of 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione?
The InChIKey is DTQYQRALRHMMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-13(15(19)17-16(18)20)9-12-11-6-4-3-5-10(11)7-8-14(12)21-2/h3-9H,1-2H3,(H,17,19,20).
What are the key properties of 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione?
5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 139888147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).