4-(1-Imidazolyl)benzoic Acid

C10H8N2O2CAS 17616-04-5188.19 g/mol

Open in Covalent MOL file
OHONN
Carboxylic acid

Properties

Molecular formula
C10H8N2O2
Molar mass
188.19 g/mol
Exact mass
188.0586 Da
logP
1.57Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17616-04-5
SMILES
C1=CC(=CC=C1C(=O)O)N2C=CN=C2
InChIKey
LFIDZIWWYNTQOQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 4-(1H-Imidazol-1-yl)benzoic acid

Work with 4-(1-Imidazolyl)benzoic Acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4H-1,2,4-Triazol-4-yl)benzoic acid157069-48-265 % similar 1-[4-(1H-Imidazol-1-yl)phenyl]ethanone10041-06-262 % similar 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-862 % similar 4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl855766-92-655 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-854 % similar Dazoxiben78218-09-452 % similar Isonicotinic acid55-22-152 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6 4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6 3-(1H-Imidazol-1-yl)benzoic acid108035-47-8 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5 3-(4-Hydroxyphenyl)-2(1H)-pyrazinone126247-63-0 2-(1H-Imidazol-1-yl)benzoic acid159589-67-0 4-(1H-Pyrazol-1-yl)benzoic acid16209-00-0

Elsewhere

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