5-Bromo-1,3-dihydro-2H-benzimidazol-2-one

C7H5BrN2OCAS 39513-26-3213.03 g/mol

Open in Covalent MOL file
BrNHONH
Aryl halide

Properties

Molecular formula
C7H5BrN2O
Molar mass
213.03 g/mol
Exact mass
211.9585 Da
logP
1.62Crippen estimate
Polar surface area
48.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
39513-26-3
SMILES
C1=CC2=C(C=C1Br)NC(=O)N2
InChIKey
VWIGEYVTDXNDHV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)

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Names and synonyms

1 names
  • 5-Bromo-1,3-dihydrobenzoimidazol-2-one

Work with 5-Bromo-1,3-dihydro-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

6-Bromo-2,4(1H,3H)-quinazolinedione88145-89-565 % similar 6-Bromoquinolin-2(1H)-one1810-66-855 % similar 2,7-Dibromo-9H-carbazole136630-39-250 % similar 3,6-Dibromocarbazole6825-20-350 % similar 1,3-Dihydro-5-methoxy-2H-benzimidazol-2-one2080-75-348 % similar 6-Bromo-1,2-dihydroquinoxalin-2-one55687-34-844 % similar 6-Bromo-2(1H)-quinazolinone79885-37-344 % similar 7-Bromo-1H-quinoxalin-2-one82031-32-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-4-aza-2-oxindole1190319-62-0 3-Bromo-5H-pyrrolo[3,4-b]pyridin-7(6H)-one1346809-61-7 6-Bromo-1,2-benzoxazol-3-amine177995-39-0 5-Bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one183208-34-6 5-(Bromomethyl)-2,1,3-benzoxadiazole32863-31-3 6-Bromo-1H-indazol-3-ol885521-92-6

Elsewhere

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