1H-Benzimidazole-2-propanoic acid

C₁₀H₁₀N₂O₂CAS 23249-97-0190.20 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₁₀N₂O₂
Molar mass: 190.20 g/mol
Exact mass: 190.0742 Da
Melting point: 228 °C (decomposes)
logP: 1.58Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23249-97-0

SMILES

O=C(O)CCc1nc2ccccc2[nH]1

InChIKey

XYWJNTOURDMTPI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

12 names

2-Benzimidazolepropionic acid
2-(2-Carboxyethyl)benzimidazole
(2-Benzimidazolyl)propionic acid
Propazol
Procodazol
Procodazole
3-(2-Benzimidazolyl)propionic acid
AL 1241
Estimulocel
NSC 35790
3-(1H-Benzimidazol-2-yl)propionic acid
3-(1H-Benzimidazol-2-yl)propanoic acid

Work with 1H-Benzimidazole-2-propanoic 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

(2-Benzimidazolylthio)-acetic acid3042-00-057 % similar 1H-Benzimidazole-2-propanol2403-66-954 % similar 2-Propyl-1H-benzimidazole5465-29-253 % similar 2-(Hydroxymethyl)-1H-benzimidazole4856-97-751 % similar 1H-Benzimidazole-2-carboxylic acid2849-93-650 % similar Phenylpropanoic acid501-52-050 % similar 1H-Indole-3-propanoic acid830-96-650 % similar 2-Pentyl-1H-benzimidazole5851-46-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 3-Benzoimidazol-1-yl-propionic acid14840-18-7 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 Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-8

Elsewhere

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