2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid

C17H14N2O5 — CID 177487292

IUPAC2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCOc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc2ccccc12
InChIInChI=1S/C17H14N2O5/c1-24-15-11(7-6-10-4-2-3-5-12(10)15)8-13-16(22)19(9-14(20)21)17(23)18-13/h2-8H,9H2,1H3,(H,18,23)(H,20,21)/b13-8+
InChIKeyBINLNZXIQLYHPB-MDWZMJQESA-N
MW326.31 g/mol
LogP1.83
Rot. Bonds4

About 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 177487292) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID177487292
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCOc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc2ccccc12
InChIInChI=1S/C17H14N2O5/c1-24-15-11(7-6-10-4-2-3-5-12(10)15)8-13-16(22)19(9-14(20)21)17(23)18-13/h2-8H,9H2,1H3,(H,18,23)(H,20,21)/b13-8+
InChIKeyBINLNZXIQLYHPB-MDWZMJQESA-N
XLogP1.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.83
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

2-[(4E)-4-[(2-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 124661169
methyl 2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490219
(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 78414890
2-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 6491916
2-[4-[(4-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 78415108
methyl 2-[4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 71832654
3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 154063808
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
methyl 2-[2,5-dioxo-4-[(2-phenylsulfanylphenyl)methylidene]imidazolidin-1-yl]acetate
CID 3953476
(5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione
CID 177488195
5-[(4-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 177487292) is 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid is COc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc2ccccc12.
What is the InChIKey of 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is BINLNZXIQLYHPB-MDWZMJQESA-N. The full InChI is InChI=1S/C17H14N2O5/c1-24-15-11(7-6-10-4-2-3-5-12(10)15)8-13-16(22)19(9-14(20)21)17(23)18-13/h2-8H,9H2,1H3,(H,18,23)(H,20,21)/b13-8+.
What are the key properties of 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 326.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 177487292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).