chempirical

5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one

C12H14ClN3OCAS 53786-28-0251.71 g/mol

Open in Covalent MOL file
HONClNHN
Aryl halidePhenolSecondary amine

Properties

Molecular formula
C12H14ClN3O
Molar mass
251.71 g/mol
Exact mass
251.0825 Da
Melting point
220 °C
logP
2.32Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
53786-28-0
SMILES
Oc1nc2cc(Cl)ccc2n1C1CCNCC1
InChIKey
DOAYWDKFDPSTSV-UHFFFAOYSA-N
InChI
InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)

Weigh it out

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

Names and synonyms

8 names
  • 2H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(4-piperidinyl)-
  • 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
  • R 29676
  • 5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one
  • 5-Chloro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one
  • 4-(6-Chloro-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine
  • 5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  • 5-Chloro-1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

Work with 5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-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

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one20662-53-765 % similar Domperidone57808-66-956 % similar 2H-Benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-, (2Z)-2-butenedioate99497-03-747 % similar Pimozide2062-78-437 % similar Benperidol2062-84-234 % similar 5,6-Dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one60563-36-233 % similar 5-Chloro-2(3H)-benzothiazolone20600-44-633 % similar Chlorzoxazone95-25-033 % similar

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

Same formula

3-[2-Chloro-4-(cyclopentylamino)-5-pyrimidinyl]-2-propyn-1-ol1374639-76-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook