2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid

C11H10N2O3 — CID 136886155

IUPAC2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
SMILESCn1ccnc1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H10N2O3/c1-13-5-4-12-10(13)7-2-3-9(14)8(6-7)11(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyPYPBQCHZTDUQAB-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.49
Rot. Bonds2

About 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid

2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid (PubChem CID 136886155) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
PubChem CID136886155
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
SMILESCn1ccnc1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H10N2O3/c1-13-5-4-12-10(13)7-2-3-9(14)8(6-7)11(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyPYPBQCHZTDUQAB-UHFFFAOYSA-N
XLogP1.49
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
CID 172811429
4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
5-(1-methylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 68746117
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117332408
2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid
CID 117335940
3-chloro-5-(1-methylimidazol-2-yl)benzoic acid
CID 107957248
2-(4-chloro-3-methylphenyl)-1-methylimidazole
CID 172691387
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
CID 84671306
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-hydroxy-5-(2-methylphenyl)benzoic acid
CID 4192838

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid (CID 136886155) is 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid is Cn1ccnc1-c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid?
The InChIKey is PYPBQCHZTDUQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-13-5-4-12-10(13)7-2-3-9(14)8(6-7)11(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid?
2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid is sourced from PubChem (CID 136886155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).