2-Amino-5-chlorobenzimidazole

C₇H₆ClN₃CAS 5418-93-9167.60 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₆ClN₃
Molar mass: 167.60 g/mol
Exact mass: 167.0250 Da
Melting point: 167–168 °C
logP: 1.63Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5418-93-9

SMILES

N=c1[nH]c2ccc(Cl)cc2[nH]1

InChIKey

PDOCNPCPPLPXRV-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)

Weigh it out

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

Names and synonyms

12 names

1H-Benzimidazol-2-amine, 6-chloro-
Benzimidazole, 2-amino-5-chloro-
1H-Benzimidazol-2-amine, 5-chloro-
Benzimidazole, 2-amino-5(or 6)-chloro-
6-Chloro-1H-benzimidazol-2-amine
2-Amino-6-chlorobenzimidazole
5-Chloro-2-benzimidazolamine
5-Chloro-2-aminobenzimidazole
2-Amino-5-chloro-1H-benzimidazole
NSC 10545
5-Chlorobenzoimidazol-2-ylamine
5-Chloro-1H-benzimidazol-2-amine

Work with 2-Amino-5-chlorobenzimidazole

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-Aminobenzimidazole934-32-750 % similar 5-Chloro-2-benzothiazolamine20358-00-348 % similar 2-Amino-6-chlorobenzothiazole95-24-948 % similar Zoxazolamine61-80-347 % similar 2-Amino-5-nitrobenzimidazole6232-92-446 % similar 2-Amino-5,6-dimethylbenzimidazole29096-75-145 % similar Irsogladine57381-26-744 % similar 2-Chloro-9H-carbazole10537-08-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-2-methylimidazo(1,2-b)pyridazine14793-00-1 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-6 6-Chloro-1H-indazol-3-amine16889-21-7 3-Chloro-2H-indazol-6-amine21413-23-0 4-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine35808-68-5 2,3-Diamino-6-chlorobenzonitrile548457-80-3 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine71149-52-5 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-4

Elsewhere

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