chempirical

2-Benzimidazolinone

C7H6N2OCAS 615-16-7134.14 g/mol

Open in Covalent MOL file
HONNH
Phenol

Properties

Molecular formula
C7H6N2O
Molar mass
134.14 g/mol
Exact mass
134.0480 Da
Melting point
above 300 °C
Boiling point
185–190 °C (at 0.01 Torr)
logP
1.27Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
615-16-7
SMILES
Oc1nc2ccccc2[nH]1
InChIKey
SILNNFMWIMZVEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)

Weigh it out

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

Names and synonyms

22 names · show all
  • 2H-Benzimidazol-2-one, 1,3-dihydro-
  • 1,3-Dihydro-2H-benzimidazol-2-one
  • o-Phenyleneurea
  • Urea, N,N′-(1,2-phenylene)-
  • N,N′-(1,2-Phenyleneurea)
  • 1,3-Dihydro-2H-benzimidazole-2-one
  • 2-Benzimidazolol
  • 2-Hydroxybenzimidazole
  • 2(3H)-Benzimidazolone
  • 2-Benzimidazolone
  • 2(3H)-Oxobenzimidazole
  • 2,3-Dihydro-2-oxo-1H-benzimidazole
  • NSC 10383
  • NSC 178108
  • 1,3-Dihydrobenzimidazol-2-one
  • 1H-Benzimidazol-2(3H)-one
  • 1H-Benzo[d]imidazol-2(3H)-one
  • 1,3-Dihydro-2H-benzo[d]imidazol-2-one
  • 1H-1,3-Benzodiazol-2-ol
  • 1H-Benzoimidazol-2-ol
  • 1,3-Dihydro-benzoimidazol-2-one
  • 2,3-Dihydro-1H-1,3-benzodiazol-2-one

Work with 2-Benzimidazolinone

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

2-Phenylbenzimidazole716-79-054 % similar 1H-Benzimidazole-2-methanol4856-97-753 % similar 5-Amino-2-benzimidazolinone95-23-853 % similar 2-Chlorobenzimidazole4857-06-152 % similar Mercaptobenzimidazole583-39-152 % similar 2-Methylbenzimidazole615-15-652 % similar 2-Ethylbenzimidazole1848-84-648 % similar 2-(Chloromethyl)benzimidazole4857-04-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-5 1H-Indazol-5-ol15579-15-4 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-B]pyridin-2-one32501-05-6 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-4 2-Benzoxazolamine4570-41-6 1,3-Dihydro-2H-pyrrolo[2,3-B]pyridin-2-one5654-97-7 2-Methoxy-3-pyridinecarbonitrile7254-34-4

Elsewhere

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