chempirical

Benzoimidazol-1-yl-acetic acid

C9H8N2O2CAS 40332-16-9176.17 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
logP
1.12Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40332-16-9
SMILES
C1=CC=C2C(=C1)N=CN2CC(=O)O
InChIKey
AFHSZBKDUTWXDX-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c12-9(13)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6H,5H2,(H,12,13)

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Work with Benzoimidazol-1-yl-acetic 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

3-Benzoimidazol-1-yl-propionic acid14840-18-773 % similar Benzotriazol-1-yl-acetic acid4144-64-355 % similar 1H-Indole-1-acetic acid24297-59-454 % similar N-Ethylbenzimidazole7035-68-951 % similar (2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid313241-14-448 % similar 3-Formyl-1H-indole-1-acetic acid138423-98-047 % similar 1H-Benzotriazole-1-propanoic acid654-15-945 % similar N-(Carboxymethyl)acridone38609-97-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3

Elsewhere

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