2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid

C16H12N2O5 — CID 10828885

IUPAC2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C16H12N2O5/c19-13(20)9-18-15(22)14(21)17(16(18)23)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,19,20)
InChIKeyFQWQINJVGHEFNA-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.22
Rot. Bonds4

About 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid

2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid (PubChem CID 10828885) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid
PubChem CID10828885
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C16H12N2O5/c19-13(20)9-18-15(22)14(21)17(16(18)23)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,19,20)
InChIKeyFQWQINJVGHEFNA-UHFFFAOYSA-N
XLogP1.22
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-bromonaphthalen-1-yl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 21480751
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
2-[3-[(3-bromophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 10807143
2-[3-[(E)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid
CID 21376997
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione
CID 8606441
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
3-(naphthalen-1-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 7916945
1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
CID 62370147
1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 31132785
carbamic acid;naphthalen-1-ylmethanol
CID 71402043

Frequently Asked Questions

What is the IUPAC name of 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid (CID 10828885) is 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid is O=C(O)CN1C(=O)C(=O)N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid?
The InChIKey is FQWQINJVGHEFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c19-13(20)9-18-15(22)14(21)17(16(18)23)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,19,20).
What are the key properties of 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid?
2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid has a molecular weight of 312.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 10828885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).