N-Ethylbenzimidazole

C₉H₁₀N₂CAS 7035-68-9146.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀N₂
Molar mass: 146.19 g/mol
Exact mass: 146.0844 Da
logP: 2.06Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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 the 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

7035-68-9

SMILES

CCN1C=NC2=CC=CC=C21

InChIKey

WVNMLOGVAVGQIT-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-Ethyl-1H-1,3-benzodiazole

Work with N-Ethylbenzimidazole

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

1-Methylbenzimidazole1632-83-352 % similar Benzoimidazol-1-yl-acetic acid40332-16-951 % similar 3-Benzoimidazol-1-yl-propionic acid14840-18-749 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-546 % similar 9-Ethylcarbazole86-28-241 % similar 1-Methylbenzotriazole13351-73-038 % similar 1-(2-Methylpropyl)-1H-imidazo[4,5-C]quinoline99010-24-938 % similar Hydroxybenzotriazole2592-95-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1H-indol-5-amine102308-97-4 3-(Phenylamino)propanenitrile1075-76-9 4-(Dimethylamino)benzonitrile1197-19-9 4-Amino-3-ethylbenzonitrile170230-87-2 2-Ethylbenzimidazole1848-84-6 Dipyrrylmethane21211-65-4 (1H-Indol-4-yl)methanamine3468-18-6 Myosmine532-12-7

Elsewhere

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