6-Chloro-5-fluoro-1H-benzimidazole

C₇H₄ClFN₂CAS 175135-04-3170.57 g/mol

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Properties

Molecular formula: C₇H₄ClFN₂
Molar mass: 170.57 g/mol
Exact mass: 170.0047 Da
logP: 2.36Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

175135-04-3

SMILES

Fc1cc2[nH]cnc2cc1Cl

InChIKey

YITVVUARATZCAT-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)

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Names and synonyms

3 names

1H-Benzimidazole, 6-chloro-5-fluoro-
1H-Benzimidazole, 5-chloro-6-fluoro-
6-Chloro-5-fluorobenzimidazole

Work with 6-Chloro-5-fluoro-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-Chlorobenzimidazole4887-82-546 % similar 5,6-Dimethylbenzimidazole582-60-544 % similar 6-Chloro-5-fluoro-1H-indole122509-72-243 % similar 5-Methylbenzimidazole614-97-138 % similar 5-Aminobenzimidazole934-22-538 % similar Benzimidazole-5,6-dicarboxylic acid10351-75-438 % similar 5-(Hydroxymethyl)-1H-benzimidazole106429-29-235 % similar 5-Methoxybenzimidazole4887-80-335 % similar

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

Same formula

6-Chloro-5-fluoro-1H-pyrrolo[2,3-B]pyridine1190321-96-0 4-Chloro-3-fluoro-1H-pyrrolo[2,3-B]pyridine1211582-49-8 4-Amino-2-chloro-3-fluorobenzonitrile757247-99-7 4-Chloro-5-fluoro-1H-pyrrolo[2,3-B]pyridine882033-66-1

Elsewhere

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