chempirical

3-Benzoimidazol-1-yl-propionic acid

C10H10N2O2CAS 14840-18-7190.20 g/mol

Open in Covalent MOL file
NNOOH
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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

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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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

1H-Benzotriazole-1-propanoic acid654-15-957 % similar 1H-Indole-1-acetic acid24297-59-441 % similar Benzenepentanoic acid2270-20-439 % similar 8-Phenyloctanoic acid26547-51-338 % similar Benzenepentadecanoic acid40228-93-138 % similar 1-Methylbenzimidazole1632-83-338 % similar 2-[(Phenylmethyl)thio]acetic acid103-46-837 % similar 3-Phenoxypropionic acid7170-38-937 % similar

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

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 2-Cyano-D-phenylalanine263396-41-4 3-Cyano-D-phenylalanine263396-43-6 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-3 2,3-Dimethyl-7-nitro-1H-indole41018-86-4 Ethyl 3-indazolecarboxylate4498-68-4

Elsewhere

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