1H-Benzoimidazole-2-carboxylic acid ethyl ester

C10H10N2O2CAS 1865-09-4190.20 g/mol

Open in Covalent MOL file
OONNH
Ester

Properties

Molecular formula
C10H10N2O2
Molar mass
190.20 g/mol
Exact mass
190.0742 Da
logP
1.74Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
1865-09-4
SMILES
CCOC(=O)C1=NC2=CC=CC=C2N1
InChIKey
NMYSVCYIPOCLEC-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,11,12)

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Names and synonyms

1 names
  • Ethyl 1H-benzimidazole-2-carboxylate

Work with 1H-Benzoimidazole-2-carboxylic acid ethyl ester

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

Ethyl 4-quinazolone-2-carboxylate29113-33-567 % similar 1-(1H-Benzimidazol-2-yl)ethanone939-70-855 % similar Ethyl benzoate93-89-053 % similar Ethyl 1H-indole-2-carboxylate3770-50-152 % similar 1H-Benzimidazole-2-carboxylic acid2849-93-651 % similar Ethyl 3-indazolecarboxylate4498-68-451 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-350 % similar Diethyl phthalate84-66-250 % 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 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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