1H-imidazole;naphthalene-1,2-dicarboxylic acid

C15H12N2O4 — CID 69093080

IUPAC1H-imidazole;naphthalene-1,2-dicarboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1C(=O)O.c1c[nH]cn1
InChIInChI=1S/C12H8O4.C3H4N2/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16;1-2-5-3-4-1/h1-6H,(H,13,14)(H,15,16);1-3H,(H,4,5)
InChIKeyZTAPSYFNLYSONY-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.65
Rot. Bonds2

About 1H-imidazole;naphthalene-1,2-dicarboxylic acid

1H-imidazole;naphthalene-1,2-dicarboxylic acid (PubChem CID 69093080) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1H-imidazole;naphthalene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1H-imidazole;naphthalene-1,2-dicarboxylic acid
PubChem CID69093080
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name1H-imidazole;naphthalene-1,2-dicarboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1C(=O)O.c1c[nH]cn1
InChIInChI=1S/C12H8O4.C3H4N2/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16;1-2-5-3-4-1/h1-6H,(H,13,14)(H,15,16);1-3H,(H,4,5)
InChIKeyZTAPSYFNLYSONY-UHFFFAOYSA-N
XLogP2.65
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
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CID 158292853
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
bis(1H-imidazole);naphthalene-1,4,5,8-tetracarboxylic acid
CID 157436246
heptanedioic acid;naphthalene-1,2-dicarboxylic acid
CID 70413423
benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate
CID 4961424
1H-imidazole;naphthalene
CID 66658955
benzene-1,3-dicarboxylic acid;naphthalene-1,2-dicarboxylic acid;terephthalic acid
CID 157108272
1H-imidazole;naphthalene-1-sulfonic acid
CID 122441142
1H-imidazole;2-sulfooxybenzoic acid
CID 174709210
3,4-dihydroxyphthalic acid;naphthalene-1,2-diol
CID 70365447

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;naphthalene-1,2-dicarboxylic acid?
The IUPAC name of 1H-imidazole;naphthalene-1,2-dicarboxylic acid (CID 69093080) is 1H-imidazole;naphthalene-1,2-dicarboxylic acid.
What is the SMILES notation for 1H-imidazole;naphthalene-1,2-dicarboxylic acid?
The canonical SMILES for 1H-imidazole;naphthalene-1,2-dicarboxylic acid is O=C(O)c1ccc2ccccc2c1C(=O)O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;naphthalene-1,2-dicarboxylic acid?
The InChIKey is ZTAPSYFNLYSONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4.C3H4N2/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16;1-2-5-3-4-1/h1-6H,(H,13,14)(H,15,16);1-3H,(H,4,5).
What are the key properties of 1H-imidazole;naphthalene-1,2-dicarboxylic acid?
1H-imidazole;naphthalene-1,2-dicarboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;naphthalene-1,2-dicarboxylic acid is sourced from PubChem (CID 69093080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).