5,6-Dichloro-2-methylbenzimidazole

C₈H₆Cl₂N₂CAS 6478-79-1201.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆Cl₂N₂
Molar mass: 201.05 g/mol
Exact mass: 199.9908 Da
logP: 3.18Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

6478-79-1

SMILES

CC1=NC2=CC(=C(C=C2N1)Cl)Cl

InChIKey

WMOBNOCVMZFPEN-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2N2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)

Weigh it out

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Work with 5,6-Dichloro-2-methylbenzimidazole

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

2,5,6-Trimethylbenzimidazole3363-56-260 % similar 5-Chloro-2-methylbenzimidazole2818-69-158 % similar 6-Iodo-2-methyl-1H-benzimidazole2818-70-449 % similar 2-Methylbenzimidazole615-15-647 % similar 5,6-Dichlorobenzimidazole6478-73-542 % similar 2-Methyl-1H-1,3-benzodiazole-5-carboxylic acid709-19-341 % similar 2,3-Dihydroxy-6,7-dichloroquinoxaline25983-13-538 % similar 2,6-Dimethyl-4-pyrimidinamine461-98-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile91591-63-8

Elsewhere

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