5-Methoxybenzimidazole

C8H8N2OCAS 4887-80-3148.16 g/mol

Open in Covalent MOL file
ONNH
Ether

Properties

Molecular formula
C8H8N2O
Molar mass
148.16 g/mol
Exact mass
148.0637 Da
Melting point
123 °C
Boiling point
190–195 °C (at 0.03 Torr)
logP
1.57Crippen estimate
Polar surface area
37.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
4887-80-3
SMILES
COc1ccc2nc[nH]c2c1
InChIKey
ILMHAGCURJPNRZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

8 names
  • 1H-Benzimidazole, 6-methoxy-
  • Benzimidazole, 5-methoxy-
  • 1H-Benzimidazole, 5-methoxy-
  • Benzimidazole, 5(or 6)-methoxy-
  • 6-Methoxy-1H-benzimidazole
  • 5-Methoxy-1H-benzimidazole
  • 5[6]-Methoxybenzimidazole
  • 5-Methoxybenzoimidazole

Work with 5-Methoxybenzimidazole

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-Dimethoxybenzimidazole72721-02-958 % similar 5-Methylbenzimidazole614-97-155 % similar 2-Chloro-5-methoxy-1H-benzimidazole15965-54-551 % similar Methyl 1H-1,3-benzodiazole-5-carboxylate26663-77-450 % similar 2-Mercapto-5-methoxybenzimidazole37052-78-150 % similar 5-Chlorobenzimidazole4887-82-550 % similar 6-Bromo-1H-benzimidazole4887-88-150 % similar 5-Aminobenzimidazole934-22-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 7-Methoxy-6-azaindole160590-40-9 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-8 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 2-Amino-5-methoxybenzonitrile23842-82-2

Elsewhere

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