1H-imidazole;phthalic acid

C11H10N2O4 — CID 71447033

IUPAC1H-imidazole;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.c1c[nH]cn1
InChIInChI=1S/C8H6O4.C3H4N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-5-3-4-1/h1-4H,(H,9,10)(H,11,12);1-3H,(H,4,5)
InChIKeyWMDREPIZMRNXAT-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.49
Rot. Bonds2

About 1H-imidazole;phthalic acid

1H-imidazole;phthalic acid (PubChem CID 71447033) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1H-imidazole;phthalic acid.

Molecular Properties

Compound Name1H-imidazole;phthalic acid
PubChem CID71447033
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1H-imidazole;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.c1c[nH]cn1
InChIInChI=1S/C8H6O4.C3H4N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-5-3-4-1/h1-4H,(H,9,10)(H,11,12);1-3H,(H,4,5)
InChIKeyWMDREPIZMRNXAT-UHFFFAOYSA-N
XLogP1.49
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;phthalic acid?
The IUPAC name of 1H-imidazole;phthalic acid (CID 71447033) is 1H-imidazole;phthalic acid.
What is the SMILES notation for 1H-imidazole;phthalic acid?
The canonical SMILES for 1H-imidazole;phthalic acid is O=C(O)c1ccccc1C(=O)O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;phthalic acid?
The InChIKey is WMDREPIZMRNXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C3H4N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-5-3-4-1/h1-4H,(H,9,10)(H,11,12);1-3H,(H,4,5).
What are the key properties of 1H-imidazole;phthalic acid?
1H-imidazole;phthalic acid has a molecular weight of 234.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;phthalic acid is sourced from PubChem (CID 71447033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).