2-Chloro-5-methoxy-1H-benzimidazole

C₈H₇ClN₂OCAS 15965-54-5182.61 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₇ClN₂O
Molar mass: 182.61 g/mol
Exact mass: 182.0247 Da
logP: 2.22Crippen estimate
Polar surface area: 37.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H311 Toxic in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H331 Toxic if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15965-54-5

SMILES

COC1=CC2=C(C=C1)N=C(N2)Cl

InChIKey

FMDGYQOERIOABX-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClN2O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2-Chloro-5-methoxybenzimidazole

Work with 2-Chloro-5-methoxy-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

2-Mercapto-5-methoxybenzimidazole37052-78-164 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-453 % similar 5-Methoxybenzimidazole4887-80-351 % similar 2-Chlorobenzimidazole4857-06-150 % similar 2,4-Dichloro-6-methoxyquinazoline105763-77-748 % similar 2-Chloro-6-methoxybenzothiazole2605-14-348 % similar 1,3-Dihydro-5-methoxy-2H-benzimidazol-2-one2080-75-345 % similar 2,4-Dichloro-7-methoxyquinazoline62484-31-544 % similar

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

Same formula

5-Chloro-2-methyl-6-benzoxazolamine323579-00-6 7-Chloro-4-methoxy-1H-pyrrolo[2,3-C]pyridine446284-32-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook