2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid

C26H22N2O7 — CID 67632329

IUPAC2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.O=C(O)c1ccccc1O.c1c[nH]cn1
InChIInChI=1S/C16H12O4.C7H6O3.C3H4N2/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14;8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-7H,8-9H2,(H,17,18);1-4,8H,(H,9,10);1-3H,(H,4,5)
InChIKeyMWEIQAVTPLAMDZ-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.94
Rot. Bonds3

About 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid

2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid (PubChem CID 67632329) has the molecular formula C26H22N2O7 and a molecular weight of 474.47 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
PubChem CID67632329
Molecular FormulaC26H22N2O7
Molecular Weight474.47 g/mol
Exact Mass474.14
IUPAC Name2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.O=C(O)c1ccccc1O.c1c[nH]cn1
InChIInChI=1S/C16H12O4.C7H6O3.C3H4N2/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14;8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-7H,8-9H2,(H,17,18);1-4,8H,(H,9,10);1-3H,(H,4,5)
InChIKeyMWEIQAVTPLAMDZ-UHFFFAOYSA-N
XLogP3.94
TPSA149.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid?
The IUPAC name of 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid (CID 67632329) is 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid.
What is the SMILES notation for 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid?
The canonical SMILES for 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid is O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.O=C(O)c1ccccc1O.c1c[nH]cn1.
What is the InChIKey of 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid?
The InChIKey is MWEIQAVTPLAMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4.C7H6O3.C3H4N2/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14;8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-7H,8-9H2,(H,17,18);1-4,8H,(H,9,10);1-3H,(H,4,5).
What are the key properties of 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid?
2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid has a molecular weight of 474.47 g/mol, XLogP of 3.94, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;1H-imidazole;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid is sourced from PubChem (CID 67632329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).