chempirical

2-(4-Piperidinyl)-1H-benzimidazole

C12H15N3CAS 38385-95-4201.27 g/mol

Open in Covalent MOL file
NHNHN
Secondary amine

Properties

Molecular formula
C12H15N3
Molar mass
201.27 g/mol
Exact mass
201.1266 Da
Melting point
230 °C (decomposes)
logP
2.03Crippen estimate
Polar surface area
40.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
38385-95-4
SMILES
c1ccc2[nH]c(C3CCNCC3)nc2c1
InChIKey
HBOGHPAOOWUTLB-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,15)

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Names and synonyms

7 names
  • 1H-Benzimidazole, 2-(4-piperidinyl)-
  • 4-(Benzimidazol-2-yl)piperidine
  • 2-Piperidin-4-yl-1H-benzimidazole
  • 2-(Piperidin-4-yl)benzimidazole
  • 2-(4-Piperidyl)-1H-benzimidazole
  • 2-(Piperidin-4-yl)-1H-benzo[d]imidazole
  • 2-(Piperidin-4-yl)-1H-1,3-benzodiazole

Work with 2-(4-Piperidinyl)-1H-benzimidazole

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-Isopropylbenzimidazole5851-43-453 % similar α-Methyl-1H-benzimidazole-2-methanol19018-24-749 % similar 2-Chlorobenzimidazole4857-06-144 % similar 3-(4-Piperidinyl)-1H-indole17403-09-744 % similar 4-Phenylpiperidine hydrochloride10272-49-843 % similar 4-Phenylpiperidine771-99-343 % similar 2-Ethylbenzimidazole1848-84-642 % similar 1H-Benzimidazole-2-methanol4856-97-742 % similar

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

Same formula

4-(1-Piperazinyl)-1H-indole84807-09-0

Elsewhere

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