5,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole

C₁₀H₁₀Cl₂N₂CAS 3237-62-5229.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀Cl₂N₂
Molar mass: 229.10 g/mol
Exact mass: 228.0221 Da
Melting point: 80–85 °C
Boiling point: 185–195 °C (at 4 Torr)
logP: 3.67Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life97.5% 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, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3237-62-5

SMILES

CCn1c(C)nc2cc(Cl)c(Cl)cc21

InChIKey

IVVLMQPTQOLYDX-UHFFFAOYSA-N

InChI

InChI=1S/C10H10Cl2N2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-
Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-
5,6-Dichloro-1-ethyl-2-methylbenzimidazole
1-Ethyl-2-methyl-5,6-dichlorobenzimidazole

Work with 5,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole

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

5,6-Dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one60563-36-267 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-553 % similar 5,6-Dichloro-2-methylbenzimidazole6478-79-135 % similar 9-Ethyl-3,6-dimethylcarbazole51545-42-733 % similar 9-Chloro-2-ethyl-3,6-dihydro-1-methyl-3-(2,2,2-trifluoroethyl)-7H-pyrrolo[3,2-f]quinolin-7-one1196133-39-732 % similar 9-Chloro-2-ethyl-3,6-dihydro-1-methyl-3-(2,2,2-trifluoroethyl)-7H-pyrrolo(3,2-f)quinolin-7-one917891-35-132 % similar 1-Ethyl-2-methyl-1H-indole40876-94-631 % similar N-Ethyl-2-methylimidazole21202-52-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Pyridinyl)pyridinium chloride hydrochloride5421-92-1

Elsewhere

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