chempirical

5,6-Dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one

C9H8Cl2N2OCAS 60563-36-2231.08 g/mol

Open in Covalent MOL file
NHONClCl
Aryl halidePhenol

Properties

Molecular formula
C9H8Cl2N2O
Molar mass
231.08 g/mol
Exact mass
230.0014 Da
Melting point
205–207 °C
logP
3.07Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
60563-36-2
SMILES
CCn1c(O)nc2cc(Cl)c(Cl)cc21
InChIKey
LKHRMULASXZCLG-UHFFFAOYSA-N
InChI
InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)

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Names and synonyms

3 names
  • 2H-Benzimidazol-2-one, 5,6-dichloro-1-ethyl-1,3-dihydro-
  • 2-Benzimidazolinone, 5,6-dichloro-1-ethyl-
  • DCEBIO

Work with 5,6-Dichloro-1-ethyl-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

5,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole3237-62-567 % similar 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one62780-89-634 % similar 9-Chloro-2-ethyl-3,6-dihydro-1-methyl-3-(2,2,2-trifluoroethyl)-7H-pyrrolo[3,2-F]quinolin-7-one1196133-39-733 % similar 9-Chloro-2-ethyl-3,6-dihydro-1-methyl-3-(2,2,2-trifluoroethyl)-7H-pyrrolo[3,2-F]quinolin-7-one917891-35-133 % similar 5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one53786-28-033 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-533 % similar Domperidone57808-66-930 % similar Tcpy6515-38-430 % similar

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

Elsewhere

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