5-(Hydroxymethyl)-1H-benzimidazole

C₈H₈N₂OCAS 106429-29-2148.16 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₈H₈N₂O
Molar mass: 148.16 g/mol
Exact mass: 148.0637 Da
logP: 1.06Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

106429-29-2

SMILES

C1=CC2=C(C=C1CO)NC=N2

InChIKey

ITPDIGZAMXKBCF-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

1H-Benzimidazol-5-ylmethanol

Work with 5-(Hydroxymethyl)-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-Chlorobenzimidazole4887-82-550 % similar 6-Bromo-1H-benzimidazole4887-88-150 % similar 5-Methylbenzimidazole614-97-150 % similar 5-Aminobenzimidazole934-22-550 % similar 6-Hydroxymethylindole1075-26-949 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-646 % similar 6-Quinolinemethanol100516-88-946 % similar 5-Methoxybenzimidazole4887-80-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 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 4-Methoxy-1H-indazole351210-06-5

Elsewhere

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