5,6-Dimethoxybenzimidazole

C9H10N2O2CAS 72721-02-9178.19 g/mol

Open in Covalent MOL file
ONHNO
Ether

Properties

Molecular formula
C9H10N2O2
Molar mass
178.19 g/mol
Exact mass
178.0742 Da
logP
1.58Crippen estimate
Polar surface area
47.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
72721-02-9
SMILES
COC1=C(C=C2C(=C1)NC=N2)OC
InChIKey
BTWUUHKQHOSMIN-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2O2/c1-12-8-3-6-7(11-5-10-6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)

Weigh it out

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Work with 5,6-Dimethoxybenzimidazole

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-Methoxybenzimidazole4887-80-358 % similar 6,7-Dimethoxy-3H-quinazolin-4-one13794-72-457 % similar 5,6-Dimethylbenzimidazole582-60-552 % similar 5,6-Dichlorobenzimidazole6478-73-547 % similar 6-Acetoxy-7-methoxy-3H-quinazolin-4-one179688-53-044 % similar 5,6-Dimethoxyindole14430-23-044 % similar 5-Methylbenzimidazole614-97-144 % similar 7-Benzyloxy-6-methoxy-3H-quinazolin-4-one179688-01-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2-Dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one20348-21-4 2-Amino-4,5-dimethoxybenzonitrile26961-27-3 1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile28141-13-1 7-Nitro-1,2,3,4-tetrahydroquinoline30450-62-5 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-5

Elsewhere

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