5-Amino-1,3-dihydro-6-methyl-2H-benzimidazol-2-one

C₈H₉N₃OCAS 67014-36-2163.18 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₈H₉N₃O
Molar mass: 163.18 g/mol
Exact mass: 163.0746 Da
logP: 1.16Crippen estimate
Polar surface area: 74.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 606-111-00-6), via PubChem.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

67014-36-2

SMILES

Cc1cc2nc(O)[nH]c2cc1N

InChIKey

ZCXIPVIGYBHUTQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H9N3O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,9H2,1H3,(H2,10,11,12)

Weigh it out

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

Names and synonyms

3 names

2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-6-methyl-
5-Amino-6-methyl-2-benzimidazolone
NSC 525609

Work with 5-Amino-1,3-dihydro-6-methyl-2H-benzimidazol-2-one

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-Diaminobenzimidazolone55621-49-372 % similar 5-Amino-2-benzimidazolinone95-23-850 % similar 2,5,6-Trimethylbenzimidazole3363-56-243 % similar 2,5-Dimethyl-p-phenylenediamine6393-01-742 % similar 4-Amino-2,5-dimethylphenol3096-71-742 % similar 2,4,5-Trimethylaniline137-17-741 % similar 2-Benzimidazolinone615-16-741 % similar 4-Amino-5-methyl-2(1H)-pyridinone95306-64-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Cyanoacetyl-3,5-dimethylpyrazole36140-83-7 4-Methoxy-1H-indazol-3-amine886362-07-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook