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

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

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Related Compounds

2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
CID 159686025
potassium 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate
CID 23665785
2-(8-fluoro-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
CID 21269161
2-ethyl-6H-benzo[c][1]benzoxepin-11-one
CID 13052208
2-(11-oxo-5,6-dihydrobenzo[c][1]benzazepin-2-yl)acetic acid
CID 3052483
2-[(11E)-11-(2-chloroethylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
CID 19088566
(2-methoxy-2-oxoethyl) 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate
CID 131714551
N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide
CID 10637730
2-[(11E)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
CID 19897091
[(3E)-3-[2-(carboxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]propyl]-dimethylazanium chloride
CID 171114827
2-(2H-tetrazol-5-ylmethyl)-6H-benzo[c][1]benzoxepin-11-one
CID 90675019
[acetyl-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]amino] acetate
CID 10806985

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).