2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid

C11H10N2O3 — CID 150115849

IUPAC2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(O)c1-c1cnc[nH]1
InChIInChI=1S/C11H10N2O3/c1-6-2-3-7(11(15)16)10(14)9(6)8-4-12-5-13-8/h2-5,14H,1H3,(H,12,13)(H,15,16)
InChIKeyDYFMPUXJBOXVNT-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.79
Rot. Bonds2

About 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid

2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid (PubChem CID 150115849) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid
PubChem CID150115849
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(O)c1-c1cnc[nH]1
InChIInChI=1S/C11H10N2O3/c1-6-2-3-7(11(15)16)10(14)9(6)8-4-12-5-13-8/h2-5,14H,1H3,(H,12,13)(H,15,16)
InChIKeyDYFMPUXJBOXVNT-UHFFFAOYSA-N
XLogP1.79
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methyl-3-phenylbenzoic acid
CID 71254300
3-carbamoyl-2-[6-carboxy-2-(1H-imidazol-5-yl)-3-phenylphenyl]-5-hydroxyterephthalic acid
CID 175169890
3-hydroxy-4-methylphthalic acid
CID 139814560
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
CID 115029533
5-(5-tert-butyl-2-methylphenyl)-1H-imidazole
CID 82078469
3-fluoro-2-(1H-imidazol-5-ylsulfonylamino)-6-methylbenzoic acid
CID 167768639
5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole
CID 169050221
6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid
CID 82404817
4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 98773604
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
4-(1H-imidazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 55279302

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid?
The IUPAC name of 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid (CID 150115849) is 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid.
What is the SMILES notation for 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid?
The canonical SMILES for 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(O)c1-c1cnc[nH]1.
What is the InChIKey of 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid?
The InChIKey is DYFMPUXJBOXVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-2-3-7(11(15)16)10(14)9(6)8-4-12-5-13-8/h2-5,14H,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid?
2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid is sourced from PubChem (CID 150115849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).