3-Benzoimidazol-1-yl-propionic acid

C₁₀H₁₀N₂O₂CAS 14840-18-7190.20 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₁₀N₂O₂
Molar mass: 190.20 g/mol
Exact mass: 190.0742 Da
logP: 1.51Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14840-18-7

SMILES

C1=CC=C2C(=C1)N=CN2CCC(=O)O

InChIKey

XKGRXBQGCQJOHQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)

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

Names and synonyms

1 names

3-(1H-1,3-Benzodiazol-1-yl)propanoic acid

Work with 3-Benzoimidazol-1-yl-propionic 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

Benzoimidazol-1-yl-acetic acid40332-16-973 % similar 1H-Benzotriazole-1-propanoic acid654-15-957 % similar N-Ethylbenzimidazole7035-68-949 % similar 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-945 % similar Benzotriazol-1-yl-acetic acid4144-64-345 % similar 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid13610-59-845 % similar 3-(Pyridin-2-yl)propanoic acid15197-75-842 % similar Phenylpropanoic acid501-52-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-0 L-4-Cyanophenylalanine167479-78-9 Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate17288-32-3 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-4 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-8

Elsewhere

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