Methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate

C₁₀H₁₀FN₃O₂CAS 918321-20-7223.21 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₁₀H₁₀FN₃O₂
Molar mass: 223.21 g/mol
Exact mass: 223.0757 Da
logP: 1.08Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation25% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation25% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

918321-20-7

SMILES

CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC

InChIKey

LDEVURKKVDBRLD-UHFFFAOYSA-N

InChI

InChI=1S/C10H10FN3O2/c1-14-4-13-9-6(14)3-5(10(15)16-2)8(12)7(9)11/h3-4H,12H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

Methyl 5-amino-4-fluoro-1-methyl-1H-benzo[D]imidazole-6-carboxylate

Work with Methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate

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

Methyl 4-amino-2,3-difluoro-5-nitrobenzoate284030-58-642 % similar Methyl 3-amino-2-fluorobenzoate1195768-18-341 % similar Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-240 % similar Methyl 2-amino-4,5-difluorobenzoate207346-42-740 % similar Methyl 2,3,4,5-tetrafluorobenzoate5292-42-240 % similar Methyl 3-amino-2-chloroisonicotinate173435-41-140 % similar Methyl 2-amino-3,4,5-trimethoxybenzoate5035-82-540 % similar Methyl 2-amino-3,5-dibromobenzoate606-00-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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